data_1x5m_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 1x5m _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 ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.3 t -75.74 149.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.14 116.89 33.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.45 94.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.53 -57.49 3.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.02 119.91 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CG ' ' CE ' ' A' ' 72' ' ' MET . 33.7 p90 -149.31 130.94 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.57 138.26 19.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.58 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.7 p-90 -144.28 149.16 35.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -144.55 152.36 40.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.58 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -133.73 145.16 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 152.76 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 34.3 m-20 -64.25 78.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 170.53 -54.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 50.3 m-85 -156.02 169.85 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.38 141.62 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 17.5 ttpt -145.72 143.45 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.4 mp -118.37 150.63 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -134.24 112.28 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.512 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 3.0 mp -111.09 148.54 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -92.42 104.2 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -135.8 103.37 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.52 108.98 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.459 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 123.5 -21.9 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.4 p -59.15 -21.96 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -89.74 2.49 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -113.34 -27.56 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 23.5 m -76.22 152.98 84.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -73.75 -3.81 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 3.9 pt-20 -85.09 -25.71 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 86.5 m-20 -89.03 -10.88 45.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.415 HG13 ' CE ' ' A' ' 88' ' ' LYS . 37.4 t -111.08 104.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -116.43 113.18 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.27 138.65 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.413 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 55.9 t60 -128.07 132.13 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.647 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.473 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 20.3 m-85 -100.43 147.82 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 57' ' ' SER . 10.1 p -129.53 -165.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.4 pt-20 -77.21 -39.5 48.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 10.9 mmm-85 -142.5 54.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.448 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.03 174.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.648 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.53 127.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.413 ' OD1' ' HB3' ' A' ' 52' ' ' HIS . 4.2 p-10 -105.94 145.57 31.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.91 115.83 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -108.59 149.49 28.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.484 ' CG1' HD22 ' A' ' 65' ' ' LEU . 93.1 t -144.32 112.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -108.7 163.45 13.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.473 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 2.0 t-20 41.0 90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.4 -130.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.37 73.71 4.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 21.36 68.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -171.69 -179.65 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 m -121.28 153.13 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 38' ' ' LEU . 34.5 m-85 -128.42 151.16 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 60.1 p -136.74 143.77 43.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.56 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 1.5 ttm -151.11 119.37 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.47 144.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.648 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.87 120.7 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 67.3 m-80 -115.83 126.57 54.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.7 m-20 84.19 97.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 57' ' ' SER . 65.6 mt -107.56 133.89 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.3 tp -39.19 -50.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 20.2 mmtt -124.44 158.68 60.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.49 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.97 167.04 27.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -144.09 159.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -91.3 121.14 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 86' ' ' SER . 55.3 t -67.08 -68.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.36 -40.65 2.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.2 -31.95 40.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.473 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.9 m -57.09 141.69 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -144.02 159.03 43.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER -122.34 143.22 49.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -134.85 164.45 27.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.55 126.39 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.479 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 3.5 ptpt -111.09 176.78 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.2 m -55.23 119.04 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 44.79 33.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.4 m -154.86 144.92 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.1 p -113.42 130.37 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.571 HD23 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -103.83 145.09 30.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.428 ' CD1' HD12 ' A' ' 60' ' ' LEU . 15.0 mm -135.86 90.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' SER . 4.3 mt -76.32 120.87 22.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -119.96 112.61 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 2.8 mmp_? -57.37 148.06 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -95.3 115.76 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.49 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -58.88 -26.02 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.444 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -149.88 112.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -67.46 174.22 3.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 57.06 58.21 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 m -147.18 146.99 30.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.24 147.68 29.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 14.0 m0 -115.37 100.5 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.3 m-20 -66.79 -18.36 65.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 61.8 m-85 -162.58 133.65 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -41.89 -46.12 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.6 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.39 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' SER . 30.8 t -76.27 151.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 115.17 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 19.3 mt -72.63 109.5 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -65.41 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.02 120.06 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 22.7 p90 -148.46 133.68 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.8 136.63 15.12 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.572 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 36.7 p-90 -143.87 144.42 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.82 168.93 18.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.572 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.2 pm0 -147.72 144.63 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.28 151.73 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -64.38 77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER 171.26 -54.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 51.3 m-85 -155.48 166.86 32.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.79 141.69 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 10.1 ttpt -145.95 148.89 33.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.453 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.2 mp -122.19 149.69 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -133.39 104.04 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.513 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.8 mp -101.35 147.26 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -92.58 103.75 16.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.541 HD22 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -137.34 99.4 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.75 111.82 10.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.37 -24.18 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.0 p -57.06 -20.03 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -89.47 -4.13 58.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -103.19 -22.8 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 25.1 m -82.29 151.65 66.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -74.43 -3.87 33.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.4 -23.42 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 78.6 m-20 -93.63 -21.67 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' CE ' ' A' ' 88' ' ' LYS . 21.7 t -96.52 92.25 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.36 110.59 22.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.47 137.43 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.407 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 74.4 t60 -125.74 135.81 52.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 28.9 m-85 -103.95 144.75 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 57' ' ' SER . 25.1 p -127.83 -164.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -77.11 -41.71 40.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 3.5 mmm180 -141.3 54.78 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' HD11 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 175.6 172.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.39 127.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.407 ' OD1' ' HB3' ' A' ' 52' ' ' HIS . 2.1 p-10 -106.07 148.49 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.515 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -145.49 114.31 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -108.52 150.35 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.473 ' CG1' HD21 ' A' ' 65' ' ' LEU . 72.4 t -145.58 106.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.54 163.81 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 5.0 t-20 40.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -121.3 -122.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.42 76.96 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.27 19.06 68.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -169.71 -169.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 p -133.23 152.2 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.541 ' CD2' HD22 ' A' ' 38' ' ' LEU . 7.0 m-85 -129.58 148.54 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' VAL . 28.0 p -134.82 140.06 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.514 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.88 120.42 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.31 145.02 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.655 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.03 123.11 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 35.0 m-80 -120.33 129.08 53.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.1 m-20 84.61 86.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 57' ' ' SER . 57.3 mt -97.76 132.46 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.439 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 8.4 tp -39.9 -49.1 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.6 mmtt -123.66 159.02 57.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.96 167.26 27.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -150.43 141.22 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 142.18 50.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.4 t -87.41 -68.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -49.06 -23.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.94 -29.51 11.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.582 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.5 m -62.95 162.02 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -155.74 160.18 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.23 141.04 51.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.5 mtmt -139.06 160.69 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.3 t -134.58 128.09 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.15 177.13 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.1 m -59.32 118.28 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 49.03 32.96 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.8 m -157.6 142.56 16.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.479 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.2 p -109.97 129.4 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' A' ' 35' ' ' TYR . 4.2 mt -100.69 147.66 25.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.479 ' CD1' HD13 ' A' ' 60' ' ' LEU . 13.7 mm -137.05 90.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 5.6 mt -77.01 120.14 21.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.1 113.75 20.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 2.7 mmp_? -58.56 148.56 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -100.02 117.94 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -58.01 -29.18 65.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.39 118.46 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.44 -179.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 49.77 56.97 7.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.7 m -140.75 146.69 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.24 155.85 18.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.8 m0 -124.61 97.94 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -67.7 -15.78 63.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.531 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 69.7 m-85 -162.43 151.18 14.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -64.03 -36.15 83.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 19.3 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' SER . 25.7 t -76.46 151.11 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.95 118.04 35.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mt -77.88 96.66 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -80.81 -63.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.39 120.35 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 31.9 p90 -149.2 127.25 11.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.6 139.53 25.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 42.2 p-90 -148.01 144.15 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -139.05 174.81 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' OE1' ' N ' ' A' ' 27' ' ' GLN . 13.1 pm0 -152.63 144.67 23.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 74.9 m -140.17 154.68 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 43.9 m-20 -64.53 77.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 3.2 mtmt 170.22 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 49.3 m-85 -156.21 168.04 28.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.5 t -121.41 143.82 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 5.7 ptmt -145.78 158.02 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.7 mp -127.17 145.61 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -124.26 112.56 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.509 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -111.42 145.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.426 ' N ' HG23 ' A' ' 36' ' ' ILE . 5.4 m -90.87 104.76 17.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -135.88 99.57 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -73.27 123.54 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.408 ' CA ' HD12 ' A' ' 65' ' ' LEU . . . 106.54 -22.51 30.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 9.6 p -56.33 -23.97 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.53 1.18 50.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.58 -37.53 4.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 26.4 m -65.16 153.12 90.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 169.8 21.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 -3.77 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -83.37 -24.95 31.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 15.9 m-20 -89.82 -21.14 22.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.503 HG12 ' CE ' ' A' ' 88' ' ' LYS . 22.0 t -104.06 97.96 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -112.27 113.8 26.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.06 137.21 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.422 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 59.3 t60 -125.41 136.82 53.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.512 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 31.0 m-85 -104.91 145.91 29.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' CA ' HG23 ' A' ' 83' ' ' VAL . 20.1 p -128.46 -164.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.7 pt-20 -77.52 -41.22 39.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 57' ' ' SER . 12.5 mmm-85 -141.57 55.21 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.465 ' CA ' HD11 ' A' ' 77' ' ' LEU . 1.1 p 175.01 173.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.668 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.7 127.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.422 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 4.0 p-10 -107.14 144.41 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.515 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.37 114.16 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 1.5 tm? -105.62 149.41 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 65' ' ' LEU . 92.1 t -146.74 113.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -113.31 159.33 19.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.47 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 0.9 OUTLIER 44.66 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -129.99 -135.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.431 ' N ' HD13 ' A' ' 65' ' ' LEU . 1.2 t-20 -70.88 70.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.01 20.1 68.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -169.17 175.82 5.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.6 p -118.05 154.83 31.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.478 ' CB ' HD21 ' A' ' 38' ' ' LEU . 29.8 m-85 -130.93 151.08 51.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' VAL . 66.6 p -134.89 143.67 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.554 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -152.2 120.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 mt -138.55 143.57 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.668 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.9 119.16 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 10.7 m-80 -113.61 127.32 56.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.1 m-20 83.14 98.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 HD11 ' CA ' ' A' ' 57' ' ' SER . 53.6 mt -105.83 133.7 50.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.7 tp -40.25 -48.77 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.532 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 13.5 mmtt -122.94 159.05 55.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.442 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.54 28.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -149.43 143.55 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 134.44 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.472 HG23 ' CA ' ' A' ' 54' ' ' THR . 49.9 t -80.22 -68.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.05 -20.33 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.91 -31.3 8.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.512 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.2 m -62.24 155.24 25.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.433 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -148.79 162.35 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.503 ' CE ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -123.07 134.29 54.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mtmm -130.03 161.35 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.4 t -135.02 133.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.32 -172.85 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -67.09 107.87 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 58.78 26.52 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.2 m -147.32 148.76 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 60' ' ' LEU . 6.2 p -117.35 121.15 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -95.92 132.54 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.419 ' CD1' HD12 ' A' ' 60' ' ' LEU . 15.9 mm -117.95 90.39 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.4 mt -73.42 121.77 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.1 m -120.35 113.95 21.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 2.6 mmp_? -59.65 148.19 34.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -99.94 123.77 44.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -70.41 -26.66 63.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.4 t -140.88 127.66 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -74.0 177.2 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 42.34 56.23 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 2.6 m -132.24 132.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.83 146.49 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.5 m0 -112.82 103.75 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 107.987 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 3.1 m-20 -65.02 -21.72 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.482 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 90.6 m-85 -160.71 147.6 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.9 OUTLIER -50.25 -45.34 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.9 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' SER . 39.9 t -76.72 154.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -106.26 118.94 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 33.2 mt -76.38 108.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 69.7 m -90.8 -62.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.85 119.83 24.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 29.0 p90 -149.47 128.14 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.46 140.49 23.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.594 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.3 p-90 -144.43 148.33 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -144.83 146.44 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.594 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -128.64 144.59 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 m -140.37 152.15 45.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 77.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 171.28 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 52.6 m-85 -155.74 166.14 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.21 142.0 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 18.8 ttpt -145.78 149.85 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.44 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.2 mp -124.11 148.43 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -133.42 106.37 7.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' HB ' ' CG1' ' A' ' 95' ' ' VAL . 2.9 mp -103.9 147.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -93.31 104.82 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.436 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -136.87 102.19 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.83 108.25 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.03 -25.49 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.418 ' N ' HD12 ' A' ' 65' ' ' LEU . 8.8 p -56.99 -20.36 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -89.73 1.79 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -108.79 -19.69 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 24.4 m -85.97 152.05 55.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.36 20.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -74.16 -3.75 31.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.7 pt-20 -83.68 -24.72 31.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 70.1 m-20 -89.66 -25.21 21.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.474 HG12 ' CE ' ' A' ' 88' ' ' LYS . 46.3 t -96.05 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -115.96 111.37 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.31 131.15 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.8 t-160 -120.59 132.68 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.4 m-85 -101.01 147.13 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 57' ' ' SER . 24.8 p -129.84 -164.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.1 pt-20 -77.02 -42.36 38.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 13.2 mmm-85 -140.39 54.98 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.491 ' CA ' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 176.03 170.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.682 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -167.62 127.41 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 2.1 p-10 -107.2 148.9 28.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -146.11 114.71 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.52 150.66 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' N ' HD13 ' A' ' 61' ' ' LEU . 62.5 t -145.15 104.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -98.63 162.23 13.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.472 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 8.1 t-20 39.06 89.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -118.4 -115.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.411 ' OD1' ' OH ' ' A' ' 70' ' ' TYR . 8.3 p30 -98.3 79.29 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.92 15.31 64.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.64 -169.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -131.22 153.63 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.539 ' CD2' HD21 ' A' ' 38' ' ' LEU . 9.3 m-85 -129.17 149.66 50.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.9 p -136.07 142.68 44.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.492 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -148.96 118.19 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -133.75 145.17 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.676 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.7 122.9 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 27.0 m120 -119.75 133.22 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.6 m-20 81.65 83.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.491 HD13 ' CA ' ' A' ' 57' ' ' SER . 61.3 mt -92.6 129.41 38.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 77' ' ' LEU . 5.0 tp -37.75 -46.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.7 mmtt -127.41 160.21 61.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.14 31.9 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.32 145.82 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -78.26 130.89 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.986 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' SER . 49.2 t -78.33 -68.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.52 -25.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.48 -30.5 9.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.6 m -62.13 150.32 38.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -144.7 162.6 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.16 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -139.33 159.41 42.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.74 126.37 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -107.34 177.55 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.5 m -58.31 121.94 12.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 44.9 29.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 91' ' ' LYS . 23.4 m -153.07 142.04 21.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.479 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 6.4 p -110.96 130.21 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -101.92 147.56 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 60' ' ' LEU . 14.7 mm -136.49 89.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.474 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.92 118.67 18.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 14.9 m -120.12 112.04 18.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 3.1 mmp_? -57.73 148.79 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' CE ' ' NE1' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -99.9 121.91 42.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -67.66 -26.42 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -140.74 124.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.14 178.33 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 40.39 58.23 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 2.3 m -135.49 126.48 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 151.54 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.557 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.0 m0 -120.74 98.04 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 61.2 m-20 -63.94 -19.09 64.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 88.9 m-85 -158.54 138.55 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -49.18 -36.18 18.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.5 t -77.11 155.08 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.04 125.1 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 32.0 mt -82.88 95.16 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -79.67 -59.89 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.13 119.99 26.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.569 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 29.0 p90 -149.43 130.9 14.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.32 138.75 18.9 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.563 1.165 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 40.6 p-90 -144.72 147.38 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -144.96 147.63 32.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.578 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 19.7 pm0 -124.88 147.78 48.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.14 151.21 45.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.8 m-20 -63.89 79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 8.9 mttt 168.9 -54.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.3 m-85 -155.71 168.09 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -114.31 140.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 12.1 ttpt -144.82 145.61 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 35' ' ' TYR . 3.6 mp -119.82 151.57 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -135.33 109.12 8.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 3.2 mp -108.2 153.32 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -96.93 104.38 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -136.6 100.43 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -72.67 123.39 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' CA ' HD13 ' A' ' 65' ' ' LEU . . . 107.44 -22.8 28.08 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' N ' HD13 ' A' ' 65' ' ' LEU . 9.8 p -58.15 -18.09 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -92.38 -5.02 52.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -107.31 -26.12 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 26.7 m -72.23 155.29 91.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.23 23.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.33 -4.61 40.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -86.57 -26.87 24.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 76.3 m-20 -86.11 -15.21 41.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.46 HG12 ' CE ' ' A' ' 88' ' ' LYS . 26.2 t -109.29 97.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.91 113.81 26.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.0 135.64 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.425 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 67.5 t60 -123.99 134.56 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 51.7 m-85 -103.86 147.43 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.474 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 34.3 p -129.22 -164.84 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 3.6 pt-20 -78.21 -39.79 39.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.73 60.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' HD12 ' A' ' 77' ' ' LEU . 4.0 p 166.21 172.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -167.21 127.97 1.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 5.0 p-10 -106.71 139.58 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.535 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -136.04 113.61 10.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.445 ' N ' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -103.9 149.22 25.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.422 ' CG1' HD22 ' A' ' 65' ' ' LEU . 94.0 t -147.15 112.39 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -110.78 167.08 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.475 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 1.7 t-20 38.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -125.95 -130.68 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.46 72.44 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.87 19.97 66.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -166.94 -176.18 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -125.88 151.49 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.953 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.53 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 13.4 m-85 -130.6 147.95 52.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.5 p -133.44 141.57 47.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.515 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 1.1 ttt -148.35 118.99 7.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.9 mt -136.19 144.86 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.652 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.05 121.65 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 34.0 m-20 -117.21 129.12 55.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.4 m-20 82.24 93.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 57' ' ' SER . 39.7 mt -104.46 134.99 46.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.3 tp -38.89 -47.88 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 15.8 mmtt -124.91 158.62 62.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.478 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.32 29.41 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.794 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.512 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.93 138.95 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 131.44 44.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 45.8 t -76.64 -67.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.44 -22.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.77 -31.01 8.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.8 m -60.26 158.08 12.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.465 ' O ' ' CZ ' ' A' ' 53' ' ' PHE . 1.1 m -153.23 162.48 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -125.48 137.72 53.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -134.46 162.47 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.2 t -135.04 136.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.33 -178.36 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -59.35 118.77 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.5 p30 45.03 32.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LYS . 29.1 m -153.28 144.69 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 60' ' ' LEU . 6.9 p -113.91 128.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -99.3 145.23 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.494 ' CD1' HD11 ' A' ' 60' ' ' LEU . 21.7 mm -133.67 90.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.422 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.0 mt -77.11 119.34 20.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.7 m -119.0 110.44 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 108.331 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.519 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 2.8 mmp_? -58.57 148.49 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -98.56 135.25 40.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -73.8 -24.47 59.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.98 118.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.45 175.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 53.55 54.63 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.436 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 2.8 m -138.07 129.67 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.43 155.11 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.357 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.0 m0 -123.84 96.94 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 33.2 m-20 -64.14 -19.19 65.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 89.1 m-85 -162.79 141.96 8.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -50.21 -42.11 50.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.441 ' CG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -77.16 155.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.47 123.25 47.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 28.9 mt -82.57 82.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.8 t -74.84 -37.1 62.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -104.38 120.2 40.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CG ' ' CE ' ' A' ' 72' ' ' MET . 38.2 p90 -149.5 138.05 20.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.15 128.47 9.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.523 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 27.6 p-90 -129.35 148.81 51.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -161.41 132.65 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.433 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 3.9 pp0? -140.93 167.79 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -140.0 172.09 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.91 77.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.1 mtmp? 176.66 -55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.5 m-85 -151.15 170.97 18.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 48.7 t -120.35 137.07 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 18.8 ttpt -146.88 148.31 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.4 mp -123.59 149.45 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.606 ' CD1' ' OD2' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -131.19 105.5 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.511 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.8 mp -102.71 146.42 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.44 101.25 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.543 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -131.59 107.25 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -78.26 121.21 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.465 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 108.86 -21.7 27.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 11.7 p -56.75 -21.29 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -90.38 1.42 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.622 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -113.75 -21.81 10.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 25.4 m -81.0 154.17 72.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.03 168.5 24.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -75.02 -4.68 39.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.66 -25.17 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.435 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 69.8 m-20 -85.0 -14.78 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' CE ' ' A' ' 88' ' ' LYS . 21.8 t -106.94 108.54 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -117.18 113.58 22.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -131.61 136.76 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.42 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.7 t-160 -124.83 135.59 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' A' ' 86' ' ' SER . 28.9 m-85 -102.03 146.31 28.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.456 ' OG1' ' OG ' ' A' ' 57' ' ' SER . 2.5 p -128.73 -166.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -79.88 -36.89 35.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.452 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 15.8 mmm-85 -143.93 52.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.471 ' N ' HD11 ' A' ' 77' ' ' LEU . 1.1 p 176.29 175.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.668 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.03 127.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 1.1 p-10 -105.86 145.41 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.64 116.78 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -110.42 148.34 32.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.481 ' CG1' HD21 ' A' ' 65' ' ' LEU . 72.7 t -142.19 109.4 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -105.46 159.88 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.473 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 8.4 t-20 44.27 94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -131.7 -136.15 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.1 t-20 -69.53 70.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . 65.34 20.63 67.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.495 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -169.29 177.5 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.441 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 6.8 p -118.78 154.8 32.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CG ' HD23 ' A' ' 38' ' ' LEU . 30.6 m-85 -132.0 145.86 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.7 p -130.15 142.26 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.515 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -149.3 122.21 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -137.33 145.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.668 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.06 122.4 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 7.4 m-80 -116.72 127.12 54.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 83.06 96.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 57' ' ' SER . 43.6 mt -104.5 135.46 45.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 77' ' ' LEU . 11.3 tp -38.91 -48.76 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.6 mmtt -128.07 159.96 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.486 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.5 Cg_endo -74.94 167.41 27.13 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.0 154.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -89.19 104.47 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 86' ' ' SER . 35.8 t -49.7 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' VAL . 38.8 mt-10 -38.76 -51.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.38 -33.53 72.96 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' SER . 14.7 m -50.06 151.25 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -156.04 158.6 38.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' CE ' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -120.4 142.55 49.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -136.92 163.23 31.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.4 t -135.44 139.03 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.7 -172.62 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.9 m -65.84 106.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 56.28 36.39 27.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.439 HG23 ' CD ' ' A' ' 91' ' ' LYS . 18.9 m -156.73 140.69 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.463 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.4 p -108.24 125.36 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 35' ' ' TYR . 3.4 mt -98.2 141.6 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 60' ' ' LEU . 16.9 mm -129.5 91.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.7 mt -78.01 118.22 20.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.1 m -119.64 108.04 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.515 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 1.5 mmp_? -57.29 147.59 25.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -90.24 130.19 36.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.486 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -70.01 -26.32 64.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 1.7 m -150.19 111.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.13 -179.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 44.53 65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -159.09 98.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 149.62 49.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.0 m0 -111.0 92.88 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.961 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.412 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 76.6 m-20 -54.66 -23.63 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.412 ' CG ' ' C ' ' A' ' 109' ' ' ASP . 72.1 m-85 -157.06 149.96 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -55.77 -53.53 55.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.7 t -76.25 155.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.25 123.85 48.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 32.5 mt -83.92 91.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -78.27 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.58 119.55 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 25.1 p90 -149.55 132.58 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.67 135.2 13.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 46.9 p-90 -141.99 148.3 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.473 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -144.94 150.88 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.532 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -129.74 145.63 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -139.99 151.02 45.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 69.0 m-20 -63.69 78.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 169.94 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 54.5 m-85 -156.07 165.78 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.52 142.01 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 22.5 ttpt -145.55 149.2 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.455 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.3 mp -124.79 147.82 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -131.13 108.48 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.484 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -106.43 147.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.87 103.86 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.534 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -134.96 99.7 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -75.3 110.91 10.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 122.86 -25.19 6.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.402 ' N ' HD11 ' A' ' 65' ' ' LEU . 7.8 p -56.87 -23.94 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -88.0 2.77 50.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -113.6 -25.83 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 27.6 m -78.17 154.24 79.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 168.96 23.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.9 t -74.06 -3.67 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.73 -13.28 48.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 32.7 m-20 -104.76 2.13 29.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.95 101.66 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.69 114.71 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -134.42 139.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-160 -129.92 133.58 46.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.651 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 18.7 m-85 -101.38 146.11 28.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 57' ' ' SER . 12.2 p -128.19 -166.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.2 pt-20 -74.86 -41.79 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 57' ' ' SER . 15.4 mmm-85 -141.4 54.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.482 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.76 174.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.644 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -171.28 127.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.527 ' CB ' HG12 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -103.3 147.39 27.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -146.63 116.08 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -109.66 150.93 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.447 ' CG1' HD21 ' A' ' 65' ' ' LEU . 83.8 t -144.69 112.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -108.16 158.47 17.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.489 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 2.0 t-20 44.82 94.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.534 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -131.17 -129.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 39' ' ' THR . 1.7 t-20 -74.59 71.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.86 16.84 64.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -165.57 -179.6 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.8 p -121.86 149.16 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -127.14 149.86 49.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' VAL . 55.1 p -133.18 142.78 48.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.514 ' HE3' ' CG ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -146.67 121.12 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.527 HG12 ' CB ' ' A' ' 59' ' ' ASP . 14.4 mt -134.62 146.65 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.642 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -130.34 128.17 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.8 m-20 -127.84 128.67 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.5 m-20 85.21 84.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 57' ' ' SER . 73.5 mt -95.4 131.56 41.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 77' ' ' LEU . 13.3 tp -39.44 -46.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 25.6 mmtt -127.6 159.92 63.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.405 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.03 166.58 28.86 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.09 138.46 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.95 132.95 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' SER . 68.0 t -79.01 -68.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -47.67 -25.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.55 -25.29 21.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.511 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 2.1 m -64.91 156.12 32.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 98' ' ' LEU . 11.4 m -153.64 168.58 25.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -132.43 145.88 51.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 96' ' ' LEU . 2.5 mtmm -137.84 165.18 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.7 t -134.97 125.95 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.485 ' CD ' HG21 ' A' ' 94' ' ' THR . 0.0 OUTLIER -111.92 172.1 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 96.8 m -50.27 117.77 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.2 p30 44.97 38.55 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.485 HG21 ' CD ' ' A' ' 91' ' ' LYS . 25.5 m -159.01 144.9 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 5.7 p -113.79 124.32 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -96.8 145.64 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 60' ' ' LEU . 13.3 mm -136.92 90.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.1 mt -76.31 122.7 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.9 m -119.86 113.94 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.509 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 3.1 mmp_? -58.39 148.43 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 3.8 mttt -101.0 124.94 47.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -66.14 -27.77 68.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.48 116.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -66.99 172.3 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 m120 59.01 49.7 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.2 m -139.05 106.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.0 44.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 11.6 m0 -119.2 93.94 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.6 OUTLIER -58.87 -18.88 36.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 89.2 m-85 -162.46 147.27 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -58.65 -31.93 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 11.1 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.447 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' SER . 40.4 t -76.93 152.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 118.46 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 26.9 mt -77.02 91.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -52.38 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.13 119.68 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 25.5 p90 -150.07 136.3 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.55 130.52 10.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.418 1.074 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.46 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.8 p-90 -132.93 154.82 50.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.596 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -168.52 131.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.426 ' NE2' ' HB2' ' A' ' 108' ' ' TRP . 2.8 pp0? -136.86 165.32 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.29 170.69 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 22.0 m-20 -65.28 82.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER 169.89 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 52.1 m-85 -150.95 169.91 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 ' CG2' ' HE3' ' A' ' 101' ' ' LYS . 41.7 t -120.15 137.93 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 19.9 ttpt -146.26 148.9 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.4 mp -125.44 151.63 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -133.17 107.82 8.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.505 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.6 mp -105.07 145.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 36' ' ' ILE . 3.2 m -92.99 101.32 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -133.11 105.8 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 1.6 m -79.31 111.07 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.52 -25.78 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.64 -20.75 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -90.26 -1.52 57.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -107.26 -22.25 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 26.2 m -82.62 152.06 66.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -74.96 170.55 20.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -73.54 -3.24 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -83.81 -23.81 31.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 97.7 m-20 -93.93 -6.72 44.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.3 t -112.54 105.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . 1.6 tp-100 -119.06 106.24 12.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -123.28 131.3 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-80 -120.58 134.9 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.627 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 39.2 m-85 -103.04 144.95 30.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.429 ' OG1' ' OG ' ' A' ' 57' ' ' SER . 21.3 p -127.06 -164.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.7 pt-20 -78.16 -39.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 18.4 mmm-85 -142.01 53.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.474 ' CA ' HD13 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 176.15 174.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.657 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -171.38 127.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 2.4 p-10 -106.76 151.24 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.05 113.14 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 50' ' ' GLN . 3.4 tm? -98.06 146.1 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.474 ' CG1' HD23 ' A' ' 65' ' ' LEU . 84.9 t -147.46 102.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -105.62 166.55 10.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.466 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 t-20 38.7 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.496 HD22 ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -123.89 -125.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -82.86 74.56 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.96 19.82 63.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -165.79 -170.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.403 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 6.2 m -128.85 157.34 41.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 13.9 m-85 -136.45 149.93 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.4 p -136.33 142.24 43.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.512 ' HE2' ' CG ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -147.62 120.13 8.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.43 144.84 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.639 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -126.76 122.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.54 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.4 m-80 -120.32 130.32 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.3 m-20 85.12 83.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.474 HD13 ' CA ' ' A' ' 57' ' ' SER . 71.9 mt -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.8 tp -39.53 -46.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 12.2 mmtt -127.94 160.66 60.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.407 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 18.4 Cg_endo -74.97 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.55 149.16 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 126.64 31.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' SER . 40.8 t -74.2 -68.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.86 -37.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.09 -32.18 29.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.585 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.8 m -55.6 157.16 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.411 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 2.5 m -155.02 161.49 41.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.496 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.62 139.93 53.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -136.85 161.72 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.31 132.84 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.481 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -114.83 178.37 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 51.5 m -59.22 121.36 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.8 p30 45.64 31.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 28.9 m -156.41 146.2 21.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 60' ' ' LEU . 7.2 p -114.75 128.26 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.492 ' CD2' ' HD2' ' A' ' 33' ' ' LYS . 4.4 mt -96.59 148.26 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 60' ' ' LEU . 16.7 mm -136.37 90.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.478 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -77.14 118.8 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.86 108.74 14.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.306 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.524 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 2.0 mmp_? -57.64 147.31 27.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.443 ' HE3' ' CG2' ' A' ' 32' ' ' VAL . 17.8 mttt -94.87 143.64 26.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -89.5 -27.1 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -145.39 117.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.82 -174.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 40.5 44.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -129.13 103.24 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 141.67 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 11.4 m0 -107.05 100.77 10.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 16.0 m-20 -67.03 -16.78 64.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.461 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 75.0 m-85 -160.08 157.42 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.46 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -69.46 -28.56 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 15.1 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' SER . 17.7 t -77.84 154.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -107.21 116.04 31.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mt -75.18 100.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.9 m -86.08 -55.08 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -87.48 120.25 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.558 ' CD2' ' HE2' ' A' ' 72' ' ' MET . 18.4 p90 -149.37 137.26 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.74 135.94 13.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.534 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.3 p-90 -139.15 151.99 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.83 -177.46 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' A' ' 108' ' ' TRP . 21.1 pt20 -163.63 136.41 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.7 t -140.76 128.77 21.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.9 m-20 -41.51 91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.77 -55.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 47.2 m-85 -156.32 166.62 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.98 139.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 10.4 ttpt -145.09 148.34 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.5 mp -121.84 149.23 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -133.45 103.6 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.475 ' HB ' ' CG1' ' A' ' 95' ' ' VAL . 2.7 mp -98.82 146.27 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.408 ' N ' HG21 ' A' ' 36' ' ' ILE . 15.5 m -93.25 101.78 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -135.42 104.89 6.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -79.57 104.25 10.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.91 -28.0 3.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.82 -18.08 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 93' ' ' ASP . 21.8 p-80 -90.11 -6.03 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -102.47 -20.92 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 22.0 m -82.06 150.29 64.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -75.0 169.92 21.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.4 t -72.31 -8.67 56.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -79.93 -22.0 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 84.2 m-20 -94.63 -19.94 20.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG11 ' CE ' ' A' ' 88' ' ' LYS . 92.9 t -99.75 99.64 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -113.29 112.63 24.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.68 135.1 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.418 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 69.7 t60 -124.48 134.27 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.559 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 37.5 m-85 -102.3 144.21 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.5 p -126.98 -167.0 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.3 pt-20 -74.16 -41.82 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.467 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 4.5 mmm180 -141.53 59.87 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.449 ' N ' HD11 ' A' ' 77' ' ' LEU . 2.1 p 169.23 170.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.663 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.98 127.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 3.7 p-10 -105.66 147.16 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -144.72 115.34 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.72 148.72 30.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 65' ' ' LEU . 85.7 t -144.41 104.38 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -98.51 163.52 12.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 3.5 t-20 40.07 91.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD21 ' CG1' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -119.83 -120.53 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.77 78.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.49 18.47 67.79 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.99 -170.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -131.48 150.53 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.478 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 10.4 m-85 -128.22 148.21 50.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' VAL . 36.8 p -134.46 142.11 46.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.558 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -147.78 119.31 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -135.32 144.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.663 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.57 121.81 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 5.2 m-80 -117.99 132.47 56.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER 79.07 91.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 57' ' ' SER . 40.7 mt -99.52 132.29 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 77' ' ' LEU . 5.4 tp -37.24 -45.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HB2' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mmtt -127.49 160.14 61.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.467 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.02 165.03 32.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.514 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -147.95 140.71 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.33 138.69 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.82 -68.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -49.87 -22.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.02 -29.44 10.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -61.41 163.25 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 m -157.94 159.91 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.68 140.27 53.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 96' ' ' LEU . 4.6 mtmt -138.04 158.31 44.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.5 t -134.27 128.04 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.11 178.45 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.0 m -63.34 118.69 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 42' ' ' HIS . 74.2 m-20 51.87 28.03 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 91' ' ' LYS . 25.0 m -154.74 145.04 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.475 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.5 p -113.76 130.43 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.604 HD22 ' CD2' ' A' ' 35' ' ' TYR . 4.1 mt -101.38 147.77 25.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 60' ' ' LEU . 17.4 mm -137.0 90.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.477 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -76.82 120.72 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 36.1 m -120.37 109.75 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.532 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 3.0 mmp_? -58.02 148.26 26.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -98.91 136.23 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -75.73 -23.58 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.27 118.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.63 172.39 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 52.3 60.73 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.1 m -131.74 146.2 52.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -105.67 136.6 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -113.08 92.56 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.509 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 11.4 m-20 -61.99 -14.57 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.509 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 80.4 m-85 -161.57 139.72 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -50.74 -36.26 35.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -76.21 155.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.07 122.84 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mt -84.68 92.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.557 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 63.1 m -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.96 119.79 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 21' ' ' SER . 16.7 p90 -149.75 135.11 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.448 ' O ' ' CG2' ' A' ' 34' ' ' ILE . . . -80.0 139.29 21.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 36.2 p-90 -145.9 157.45 43.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -158.6 173.53 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 pm0 -151.38 146.29 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -139.89 154.57 47.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.7 m-20 -63.57 79.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.8 mtmt 167.64 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 42.0 m-85 -155.49 167.72 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.2 t -119.45 142.68 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 3.0 ptmt -146.5 156.56 43.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 24' ' ' GLY . 3.6 mp -127.25 142.64 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 33' ' ' LYS . 2.6 m-85 -119.77 109.73 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -109.7 148.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.93 114.02 26.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.555 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -146.33 101.87 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -75.23 120.7 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.469 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 110.66 -23.5 19.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.414 ' N ' HD11 ' A' ' 65' ' ' LEU . 7.3 p -56.73 -25.9 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -84.65 -2.83 58.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -107.98 -36.17 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 25.5 m -66.74 154.05 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.02 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -74.46 -3.7 32.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -86.79 -29.21 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.433 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 59.1 m-20 -81.42 -15.61 54.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.546 HG12 ' CE ' ' A' ' 88' ' ' LYS . 58.3 t -110.92 112.79 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -118.92 116.38 26.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.237 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -132.91 135.6 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 75.9 t60 -124.7 137.67 54.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 29.8 m-85 -106.46 145.82 31.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.477 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 74.0 p -131.03 -164.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 4.3 pt-20 -77.54 -40.94 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' SER . 11.8 mmm-85 -142.32 67.11 1.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.512 ' CA ' HD12 ' A' ' 77' ' ' LEU . 2.4 p 159.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.68 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.35 127.64 5.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.569 ' CB ' HG12 ' A' ' 73' ' ' ILE . 3.6 p-10 -105.27 143.65 33.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.08 117.09 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -111.57 147.86 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.437 ' CG1' HD23 ' A' ' 65' ' ' LEU . 71.3 t -142.33 115.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -111.25 162.77 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.466 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 3.5 t30 40.46 90.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.555 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.01 -132.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.01 70.5 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.07 21.38 61.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.548 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 2.5 ptpt -163.59 -169.91 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 1.2 m -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 24.3 m-85 -131.48 148.72 52.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.552 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 1.3 ttt -149.38 122.09 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.569 HG12 ' CB ' ' A' ' 59' ' ' ASP . 8.9 mt -135.56 143.75 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.68 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.6 119.08 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 84.0 m-20 -119.84 131.08 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.8 m-20 85.66 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.512 HD12 ' CA ' ' A' ' 57' ' ' SER . 97.1 mt -96.0 131.4 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 77' ' ' LEU . 11.7 tp -38.07 -48.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mmtt -124.84 159.25 59.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.94 28.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.509 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.0 138.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.5 143.64 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 46.0 t -87.32 -68.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -54.44 -19.3 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.54 -31.74 8.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -64.81 157.14 28.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.09 161.73 41.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.546 ' CE ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -122.56 131.87 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.8 mtmt -125.95 163.16 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.7 t -134.88 123.9 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 m -53.8 119.14 4.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 44.21 34.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 37.7 m -155.77 148.28 23.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.408 ' N ' HG23 ' A' ' 94' ' ' THR . 5.3 p -118.53 115.34 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -88.88 132.24 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.9 mm -117.4 90.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.98 120.57 18.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 58.6 m -119.91 111.98 18.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.24 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.537 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 3.3 mmp_? -58.43 148.35 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 4.7 mttt -100.11 124.6 45.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -65.32 -27.44 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.42 115.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.07 172.14 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 60.52 53.59 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.408 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.1 m -138.23 144.75 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -105.4 144.8 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.551 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.4 m0 -113.26 98.44 7.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 13.6 m-20 -64.97 -17.76 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 109' ' ' ASP . 37.7 m-85 -162.46 146.92 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -54.96 -44.97 74.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 12.7 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.419 ' CG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 39.3 t -76.29 153.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -105.9 116.35 31.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 17.7 mt -74.78 93.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -44.4 16.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.1 119.55 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 24.5 p90 -149.64 131.99 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.15 134.36 12.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.6 p-90 -138.1 151.2 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -148.06 144.26 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.586 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -127.12 144.88 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 41.0 m -140.25 151.04 44.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.05 80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER 168.51 -55.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 41.8 m-85 -154.82 168.62 26.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 33' ' ' LYS . 57.8 t -116.15 138.03 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.538 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 12.5 ttpt -141.79 149.1 39.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.49 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.4 mp -123.3 149.16 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -131.78 105.05 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.509 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.9 mp -104.3 149.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 102.25 14.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.533 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -135.01 101.88 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.16 118.39 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.452 ' CA ' HD13 ' A' ' 65' ' ' LEU . . . 113.58 -23.81 13.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' N ' HD13 ' A' ' 65' ' ' LEU . 8.3 p -56.1 -26.07 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.28 3.26 40.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.631 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -114.77 -33.84 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 22.3 m -65.61 155.41 85.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.04 169.5 22.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -75.32 -7.28 53.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.13 -28.96 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 52.0 m-20 -79.9 -26.03 40.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG11 ' CE ' ' A' ' 88' ' ' LYS . 26.9 t -99.35 112.42 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -124.03 111.44 15.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -126.17 138.43 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.417 ' N ' HG21 ' A' ' 51' ' ' VAL . 11.9 t-160 -124.61 135.59 53.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.2 m-85 -105.98 137.13 44.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.418 ' OG1' ' OG ' ' A' ' 57' ' ' SER . 14.2 p -121.71 -166.34 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -78.87 -36.77 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 12.9 mmm-85 -143.76 55.11 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.493 ' CA ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.44 172.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.671 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -170.89 127.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 1.7 p-10 -109.29 148.66 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.492 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.22 114.64 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.409 ' N ' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -101.57 148.19 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.473 ' CG1' HD23 ' A' ' 65' ' ' LEU . 97.7 t -146.83 101.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -104.03 160.26 14.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.474 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 3.2 t30 43.34 92.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.533 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -127.33 -131.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -75.09 72.13 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.12 20.44 64.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.76 -169.95 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.419 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 17.2 p -134.36 151.6 51.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 19.3 m-85 -130.51 151.09 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.2 p -133.16 138.48 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.518 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -144.86 118.87 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.52 143.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.647 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.14 122.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 60.0 m-80 -119.0 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.7 OUTLIER 78.61 85.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.493 HD12 ' CA ' ' A' ' 57' ' ' SER . 37.4 mt -94.76 132.07 39.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 77' ' ' LEU . 5.0 tp -38.53 -47.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.5 mmtp -127.92 159.81 64.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 166.02 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.515 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -144.32 138.06 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -72.06 117.99 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.11 -60.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -48.82 -22.25 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.6 -25.56 9.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.548 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 73.3 m -59.58 154.89 16.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 0.749 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 m -155.63 157.63 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.471 ' CE ' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -118.82 143.41 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 4.8 mtmt -138.8 161.09 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.02 131.13 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.47 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -116.63 172.2 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.1 m -51.54 118.55 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.97 37.56 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' LYS . 38.5 m -158.79 142.59 15.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.487 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.4 p -111.29 126.23 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.51 ' CD2' ' HD2' ' A' ' 33' ' ' LYS . 3.4 mt -98.41 145.95 26.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.408 ' CD1' HD13 ' A' ' 60' ' ' LEU . 17.0 mm -135.41 91.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.538 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -76.63 118.56 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 8.7 m -119.6 106.92 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 81' ' ' ILE . 1.9 mmp_? -57.71 148.39 24.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 10.4 mttt -97.41 144.12 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -83.56 -25.91 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.23 117.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -61.48 178.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 45.44 61.67 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.43 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 2.5 m -144.2 100.48 3.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.52 148.35 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.9 m0 -115.39 95.81 5.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -57.75 -28.49 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -150.18 138.24 20.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -48.89 -32.04 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.23 150.67 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 112.27 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mt -78.36 72.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -43.69 84.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -95.57 119.55 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.513 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 38.3 p90 -150.04 138.54 20.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.39 131.09 10.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CE3' HD21 ' A' ' 111' ' ' LEU . 36.4 p-90 -133.53 147.62 51.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.608 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -160.61 133.89 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -147.23 163.91 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.83 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.66 84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 171.27 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.3 m-85 -146.96 170.28 17.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.473 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 47.5 t -119.02 137.28 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 10.8 ttpt -146.36 146.24 30.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.444 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.9 mp -120.99 149.53 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.608 ' CE1' ' OD2' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -131.7 104.08 6.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 3.0 mp -101.92 149.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.555 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -137.11 100.99 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.22 122.08 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.419 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 109.44 -23.34 22.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.98 -25.25 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -87.51 5.13 40.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.32 -30.17 7.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 34.2 m -72.91 156.37 89.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -74.95 169.95 21.48 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t -77.24 -3.5 40.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.04 -19.53 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.412 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 44.2 m-20 -89.65 -17.64 28.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.438 HG12 ' CE ' ' A' ' 88' ' ' LYS . 47.1 t -103.25 110.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -117.43 114.27 23.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -133.42 133.58 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 66.1 t60 -123.97 131.45 53.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -101.46 148.66 24.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 57' ' ' SER . 54.6 p -131.55 -164.53 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.8 pt-20 -78.86 -37.23 40.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 15.5 mmm-85 -143.75 61.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.486 ' CA ' HD13 ' A' ' 77' ' ' LEU . 3.5 p 164.31 166.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.654 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -163.15 127.75 3.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 4.0 p-10 -106.0 144.54 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.92 117.59 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -112.99 149.26 33.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 65' ' ' LEU . 93.1 t -142.19 104.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -98.24 153.38 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.478 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 2.3 t-20 49.83 101.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.555 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -139.66 -131.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.6 69.33 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.31 18.79 63.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -165.78 -172.03 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 m -125.63 156.85 38.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 32.7 m-85 -135.85 129.28 32.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.8 p -114.01 143.48 44.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.513 ' HE1' ' CG ' ' A' ' 23' ' ' TYR . 1.1 ttm -151.66 118.59 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.97 146.58 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.654 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.1 122.53 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 30.2 m-20 -118.35 128.13 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 82.61 90.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 HD13 ' CA ' ' A' ' 57' ' ' SER . 69.1 mt -99.28 134.98 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.3 tp -37.79 -46.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 26.9 mmtt -129.64 161.66 57.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.03 165.64 30.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.523 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -142.93 141.36 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.6 OUTLIER -76.93 112.89 14.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.956 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 86' ' ' SER . 13.3 t -58.68 -66.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.75 -44.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.15 -33.3 45.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 82' ' ' SER . 73.7 m -52.03 155.53 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 2.0 m -159.62 159.87 33.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -121.0 144.46 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.7 mtmt -138.45 162.93 33.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.9 132.17 53.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.483 ' CD ' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -117.1 175.01 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 95.9 m -52.25 117.27 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.0 p30 44.87 37.75 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.483 HG22 ' CD ' ' A' ' 91' ' ' LYS . 45.0 m -157.34 144.73 18.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.6 p -112.82 124.35 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.587 HD22 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -95.85 144.41 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.411 ' CD1' HD11 ' A' ' 60' ' ' LEU . 21.1 mm -133.23 91.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -78.02 119.32 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.1 m -119.65 105.04 10.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.523 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 1.9 mmp_? -56.71 147.67 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 11.8 mttt -94.36 148.35 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -87.7 -26.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -152.3 116.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.94 169.49 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.47 35.76 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.414 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 2.6 m -128.95 96.6 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.55 154.5 32.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.475 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.6 m0 -117.44 99.92 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.45 -28.26 68.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -141.97 164.29 30.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.578 HD21 ' CE3' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -71.48 -31.16 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.5 t -78.0 150.87 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.04 114.85 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mt -74.69 95.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -83.15 -50.5 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.97 120.29 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 26.3 p90 -149.04 134.39 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.31 134.11 12.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.6 p-90 -137.21 152.25 49.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.612 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -166.58 134.03 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 108' ' ' TRP . 3.0 pp0? -137.96 165.06 27.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.6 170.49 15.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.37 82.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER 171.05 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 50.7 m-85 -148.7 170.19 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.1 t -117.11 138.76 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.552 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 10.3 ttpt -145.72 148.34 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.491 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.3 mp -124.8 154.46 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -136.16 107.9 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.511 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 3.0 mp -107.59 148.52 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.64 113.14 25.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.512 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -145.5 99.57 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -75.44 111.91 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.424 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 121.07 -24.61 7.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.33 -24.28 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -87.94 3.74 47.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 -21.45 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 24.0 m -82.74 153.32 67.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 170.07 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -74.24 -3.7 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -84.39 -24.6 29.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 53.6 m-20 -90.4 -13.45 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 16.9 t -106.45 102.1 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -114.22 111.45 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.84 133.25 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 t-160 -122.65 127.97 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -94.1 153.6 18.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 57' ' ' SER . 25.5 p -134.19 -167.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -80.3 -35.58 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.49 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -143.4 58.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.468 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.2 p 166.0 178.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.66 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.45 128.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 4.5 p-10 -106.41 142.37 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -139.83 115.6 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -108.12 150.7 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.438 ' N ' HD11 ' A' ' 61' ' ' LEU . 69.4 t -143.99 116.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -112.85 164.26 13.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 40.53 91.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.49 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -127.95 -128.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -79.06 73.27 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.43 19.15 66.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.36 -173.82 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.754 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -125.76 159.18 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.512 ' CD2' HD21 ' A' ' 38' ' ' LEU . 25.1 m-85 -134.79 147.37 49.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' VAL . 50.8 p -132.24 142.33 49.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.515 ' HE3' ' CG ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -150.83 119.03 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.3 mt -135.18 144.85 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.66 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.92 123.16 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 25.7 m120 -120.19 130.73 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.3 m-20 83.29 90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 57' ' ' SER . 58.0 mt -102.28 134.69 45.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' LEU . 9.3 tp -39.1 -46.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 18.7 mmtt -129.35 160.1 65.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.49 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.99 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.524 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -141.92 141.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -78.82 103.23 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' SER . 22.2 t -51.4 -61.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' VAL . 44.0 mt-10 -38.8 -51.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -30.58 61.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 82' ' ' SER . 21.6 m -51.31 153.38 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.2 161.05 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -122.15 142.73 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.4 mtmt -137.03 161.95 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.9 130.39 52.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 2.4 ptpt -113.45 -178.15 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 89.4 m -60.92 118.82 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 92' ' ' THR . 3.9 p30 46.11 30.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 91' ' ' LYS . 19.9 m -152.53 143.92 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.414 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.2 p -111.31 131.45 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' CD2' ' HD2' ' A' ' 33' ' ' LYS . 3.7 mt -102.98 143.73 32.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 60' ' ' LEU . 19.5 mm -133.04 90.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.52 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.3 mt -76.09 119.34 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.3 m -119.71 103.17 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 81' ' ' ILE . 1.6 mmp_? -56.83 147.95 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -92.29 153.96 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -91.25 -25.05 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.63 117.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -61.65 173.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 55.57 50.91 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.425 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -139.12 102.12 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -71.16 152.25 43.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.6 m0 -116.75 99.22 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.528 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 28.6 m-20 -66.96 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.528 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 90.6 m-85 -162.05 154.08 19.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -66.75 -35.53 80.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 19.4 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.31 151.25 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -103.12 117.09 33.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.8 mt -78.49 96.51 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.2 p -86.9 -40.85 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.32 119.7 38.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.525 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 27.5 p90 -148.57 139.83 23.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.23 127.42 8.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.465 ' CG ' HD12 ' A' ' 111' ' ' LEU . 22.5 p-90 -129.24 145.82 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -159.07 133.72 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.455 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -142.16 165.32 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -37.6 92.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.82 -50.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -150.76 170.52 19.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 39.7 t -123.51 135.71 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 7.9 ttpt -147.16 150.41 34.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.504 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.4 mp -127.94 151.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -132.01 104.27 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -101.04 147.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 m -92.8 105.6 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -137.65 100.76 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.431 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -76.36 119.24 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 -22.94 18.34 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.423 ' N ' HD11 ' A' ' 65' ' ' LEU . 8.8 p -57.0 -18.71 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -89.33 1.86 55.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.21 -20.39 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 22.6 m -80.41 154.43 74.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.05 177.07 9.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 t -81.3 -7.27 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -84.24 -21.49 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.422 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 60.4 m-20 -88.83 -17.74 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.464 HG13 ' CE ' ' A' ' 88' ' ' LYS . 28.4 t -107.77 108.08 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -120.07 110.93 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -127.14 135.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 2.0 t-160 -123.88 131.09 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 56.3 m-85 -101.08 144.3 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 57' ' ' SER . 1.2 p -126.95 -166.45 1.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 3.0 pt-20 -74.69 -41.46 60.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.497 ' O ' ' OG ' ' A' ' 57' ' ' SER . 2.8 mmm180 -141.17 51.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.499 ' CA ' HD12 ' A' ' 77' ' ' LEU . 25.1 m 179.67 172.37 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.681 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.47 127.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 2.3 p-10 -107.18 151.43 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -147.0 116.51 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -107.48 151.08 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.44 ' N ' HD12 ' A' ' 61' ' ' LEU . 90.6 t -146.84 112.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -111.86 166.03 11.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 39.98 90.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.493 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.64 -134.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.41 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.2 t-20 -71.66 70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.8 21.89 67.81 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.28 -178.56 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 p -125.04 151.68 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 29.4 m-85 -129.94 148.51 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 p -134.37 140.3 46.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.525 ' HE1' ' CG ' ' A' ' 23' ' ' TYR . 1.8 ttm -147.09 125.5 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.2 mt -138.29 142.25 35.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.681 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.81 123.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.0 m-80 -127.12 138.11 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.5 m-20 84.44 65.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.499 HD12 ' CA ' ' A' ' 57' ' ' SER . 33.2 mt -79.86 134.19 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.419 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 13.9 tp -42.8 -48.64 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 6.3 mmtt -124.2 159.81 55.31 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.471 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.06 160.68 39.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -142.64 142.07 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 133.14 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.7 t -77.28 -68.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -48.12 -27.94 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.57 -31.32 16.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.0 m -59.35 157.81 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.2 m -157.01 157.54 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.464 ' CE ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -122.45 144.63 48.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.4 mtmm -136.14 165.13 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.83 130.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.465 ' CD ' HG21 ' A' ' 94' ' ' THR . 0.0 OUTLIER -113.24 -173.81 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.7 m -65.93 109.76 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.431 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 98.7 m-20 55.46 32.77 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.465 HG21 ' CD ' ' A' ' 91' ' ' LYS . 20.0 m -154.63 144.97 22.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.404 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.5 p -113.92 122.93 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.54 HD22 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -93.57 145.86 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 60' ' ' LEU . 13.5 mm -134.58 91.51 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.477 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.6 mt -78.31 121.65 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -120.69 113.9 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.509 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 2.2 mmp_? -58.87 149.01 28.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 4.6 mttt -100.45 106.54 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -42.53 -29.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.421 ' N ' ' C ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -151.3 114.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -63.42 176.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 57.8 49.94 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.449 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.3 m -140.56 106.62 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.16 144.9 51.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.563 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.2 m0 -111.1 99.14 8.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.47 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 27.5 m-20 -68.51 -15.96 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.47 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 65.3 m-85 -160.08 152.03 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -64.65 -46.77 81.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 71' ' ' SER . 35.4 t -77.3 155.23 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -105.49 110.56 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mt -69.12 101.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.67 -58.28 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -87.3 119.63 27.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CD2' ' HE2' ' A' ' 72' ' ' MET . 24.7 p90 -148.15 135.53 20.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.93 133.33 11.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.596 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 41.0 p-90 -135.28 150.11 49.95 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -148.54 140.75 24.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.596 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.4 pm0 -122.79 147.47 46.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -137.01 147.65 46.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.2 m-20 -63.96 77.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.619 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 164.83 -46.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.619 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.8 m-85 -155.48 169.29 24.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' CG2' ' HE2' ' A' ' 101' ' ' LYS . 54.0 t -125.11 141.86 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 14.6 ttpt -146.33 149.9 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.436 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.2 mp -122.3 144.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.596 ' CD2' HD21 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -128.68 104.53 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.6 mp -101.54 143.16 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 m -88.88 104.82 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -138.12 102.57 4.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.416 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -78.16 118.89 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.53 -22.06 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.45 ' N ' HD11 ' A' ' 65' ' ' LEU . 11.4 p -56.55 -20.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.96 4.65 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -113.54 -15.62 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 33.2 m -80.82 155.65 73.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.94 169.75 21.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -76.82 -3.79 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -88.43 -19.94 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.462 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 76.7 m-20 -92.85 -22.33 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.416 HG13 ' NZ ' ' A' ' 88' ' ' LYS . 14.1 t -98.42 91.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -110.78 112.53 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.415 ' CG1' ' HE3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -130.77 134.46 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -122.06 135.76 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CZ ' ' C ' ' A' ' 87' ' ' SER . 33.8 m-85 -104.44 144.61 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 57' ' ' SER . 41.7 p -128.96 -163.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.7 pt-20 -80.19 -38.83 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 78' ' ' LEU . 6.6 mmm180 -142.32 61.2 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.514 ' CA ' HD13 ' A' ' 77' ' ' LEU . 4.9 p 164.78 169.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.046 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.661 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.29 127.7 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.545 ' CB ' HG12 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -103.96 147.96 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -146.45 115.59 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -108.98 148.65 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 68.9 t -147.12 101.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -101.15 164.29 11.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.472 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 1.0 OUTLIER 39.87 90.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -121.94 -114.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.42 ' OD1' ' OH ' ' A' ' 70' ' ' TYR . 9.8 p30 -95.99 78.82 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.61 16.13 60.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -165.69 -169.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 m -131.75 152.76 50.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.553 ' CD2' HD23 ' A' ' 38' ' ' LEU . 13.5 m-85 -130.16 144.29 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 78.3 p -133.14 142.86 48.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.555 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 1.2 ttt -148.83 120.41 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.545 HG12 ' CB ' ' A' ' 59' ' ' ASP . 12.3 mt -133.31 145.09 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.661 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.73 119.01 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 32.5 m120 -115.88 126.98 54.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.9 m-20 82.84 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.514 HD13 ' CA ' ' A' ' 57' ' ' SER . 82.5 mt -103.3 133.97 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.461 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 5.2 tp -37.15 -46.31 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.9 mmtt -127.52 160.89 58.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 79' ' ' LYS . 18.3 Cg_endo -74.95 164.63 33.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.412 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -144.34 142.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.04 128.2 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' SER . 38.9 t -71.88 -68.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -45.09 -26.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.29 -31.24 9.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.7 m -59.32 169.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.486 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -168.37 158.71 9.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.491 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -120.09 141.62 49.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.5 mtmt -140.22 160.13 40.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.5 t -134.81 132.35 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -108.3 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -68.81 110.1 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 66.9 m-20 59.74 32.39 21.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.486 HG21 ' CD ' ' A' ' 91' ' ' LYS . 15.8 m -159.83 139.91 11.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.446 HG23 ' CD1' ' A' ' 60' ' ' LEU . 7.7 p -105.06 130.87 55.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.596 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.6 mt -101.57 149.15 24.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 60' ' ' LEU . 16.1 mm -138.61 90.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 4.7 mt -77.58 120.52 22.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.7 m -119.67 107.36 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mmp_? -57.59 148.08 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.449 ' HE2' ' CG2' ' A' ' 32' ' ' VAL . 6.0 mttt -96.16 137.66 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -77.85 -25.79 48.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.83 118.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 30' ' ' LYS . 1.6 mm-40 -60.52 -173.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' GLU . 93.8 m-20 39.63 60.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.445 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.3 m -137.36 137.29 38.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.73 143.08 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.4 m0 -113.64 93.97 4.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 11.6 m-20 -58.89 -20.15 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 109' ' ' ASP . 90.6 m-85 -157.99 139.78 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -44.64 -46.21 10.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.0 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 71' ' ' SER . 39.8 t -77.78 153.98 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.21 111.55 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mt -68.78 92.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -60.12 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.16 119.84 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CG ' ' CE ' ' A' ' 72' ' ' MET . 31.0 p90 -149.4 130.55 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.95 134.4 13.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.2 p-90 -138.87 149.31 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -145.86 146.35 31.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.1 pm0 -122.11 149.71 43.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 96.8 m-20 -65.08 76.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 29' ' ' ASP . 4.7 mtmt 165.78 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 59.1 m-85 -155.73 143.97 20.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.84 145.35 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -147.21 145.87 29.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.5 mp -119.7 153.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -136.49 110.42 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 3.0 mp -109.0 150.89 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -94.98 106.28 18.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.534 HD22 ' CG ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -138.93 104.71 5.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.98 119.46 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 111.9 -23.61 16.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.24 -24.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -86.14 3.28 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -113.75 -30.19 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 31.6 m -72.88 153.72 91.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -74.96 174.26 13.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -76.42 -6.43 51.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.452 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.5 pt-20 -80.83 -32.69 35.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 26.6 m-20 -81.5 -18.81 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.01 106.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -119.96 114.52 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.49 137.6 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.412 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 13.7 t-160 -126.57 133.36 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.594 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -101.33 144.42 30.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.477 ' CA ' HG23 ' A' ' 83' ' ' VAL . 65.1 p -126.98 -163.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.3 pt-20 -79.18 -40.58 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.487 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.78 52.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.453 ' N ' HD11 ' A' ' 77' ' ' LEU . 1.3 p 177.19 172.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.646 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -170.02 127.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 1.4 p-10 -105.45 149.0 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -146.77 116.83 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.53 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -109.68 149.68 29.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.459 ' CG1' HD23 ' A' ' 65' ' ' LEU . 69.7 t -146.83 103.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 167.07 10.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.48 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 5.6 t-20 39.87 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.517 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.75 -129.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.4 t-20 -76.47 72.47 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.27 21.2 63.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.22 -169.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.406 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 58.0 m -133.1 153.08 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.536 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 44.6 m-85 -133.05 149.83 52.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 58.4 p -137.54 142.44 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.563 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 1.3 ttt -148.28 122.68 9.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.32 144.67 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.614 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.71 123.93 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 7.1 m-80 -119.65 127.7 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.2 m-20 83.29 92.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 57' ' ' SER . 40.5 mt -101.11 134.05 44.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.4 tp -38.5 -49.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 16.9 mmtt -125.29 159.19 61.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.487 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.4 Cg_endo -75.01 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.401 ' CA ' ' O ' ' A' ' 100' ' ' ARG . 1.6 pp -152.91 146.95 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -70.55 131.5 44.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.477 HG23 ' CA ' ' A' ' 54' ' ' THR . 37.6 t -73.72 -69.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.69 -14.16 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.64 -16.14 46.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.404 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 2.0 m -83.67 165.35 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -158.25 160.79 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -116.84 143.39 45.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.2 mtmt -134.85 161.26 35.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -134.98 135.78 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' CE ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.86 174.81 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -54.25 119.36 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 44.95 34.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 91' ' ' LYS . 27.1 m -156.46 145.43 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.458 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.4 p -114.88 126.24 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -95.88 147.89 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.452 ' CD1' HD13 ' A' ' 60' ' ' LEU . 17.0 mm -140.66 91.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mt -77.01 132.32 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 83.8 m -118.25 106.65 13.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -58.36 104.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.601 ' NZ ' ' HE1' ' A' ' 108' ' ' TRP . 1.6 mttt -60.17 133.93 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -70.95 -36.79 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.82 121.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.86 173.64 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 61.44 49.57 5.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.472 ' CG2' ' NZ ' ' A' ' 101' ' ' LYS . 1.1 m -140.85 127.76 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -86.54 153.72 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.601 ' HE1' ' NZ ' ' A' ' 101' ' ' LYS . 9.4 m0 -122.32 90.96 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 2.2 m-20 -54.93 -21.38 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.52 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 88.6 m-85 -162.11 155.59 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -60.46 -40.47 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 12.1 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.7 t -76.7 155.16 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -106.65 115.75 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 31.9 mt -74.37 95.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.0 m -79.69 -59.29 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -86.95 121.32 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 34.9 p90 -148.75 130.05 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.03 128.21 8.35 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CE3' HD23 ' A' ' 111' ' ' LEU . 49.9 p-90 -131.26 167.37 19.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -155.76 175.69 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.492 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 18.3 pm0 -156.15 144.77 20.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 147.87 40.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.7 m-20 -63.35 77.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mttt 165.19 -51.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.683 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 52.5 m-85 -156.06 157.32 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -112.1 148.38 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 13.5 ttpt -146.81 151.1 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.0 mp -124.28 149.0 28.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.609 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -132.59 110.02 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.495 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -109.04 150.38 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -94.08 108.71 20.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.564 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -142.0 102.46 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.96 117.18 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' CA ' HD12 ' A' ' 65' ' ' LEU . . . 114.76 -23.72 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.401 ' N ' HD12 ' A' ' 65' ' ' LEU . 7.1 p -56.46 -23.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -86.96 -0.7 57.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.64 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.84 -31.14 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 25.8 m -71.93 154.07 92.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -76.64 -7.56 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -81.09 -32.56 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.43 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 56.1 m-20 -80.67 -13.04 59.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.447 HG12 ' CE ' ' A' ' 88' ' ' LYS . 15.8 t -110.21 104.75 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -115.82 115.6 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -133.6 139.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.3 t-160 -127.64 132.88 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.81 144.22 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.7 p -126.83 -164.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.1 pt-20 -80.08 -36.04 36.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.456 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 21.5 mmm-85 -144.43 57.65 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.476 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.9 p 168.24 173.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.643 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.44 127.58 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 1.5 p-10 -104.31 147.71 27.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.492 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -145.81 116.76 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -109.81 150.08 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.424 ' N ' HD13 ' A' ' 61' ' ' LEU . 70.3 t -143.47 112.14 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 64' ' ' ASN . 1.4 mttt -109.46 162.78 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 19.0 t30 40.95 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.564 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.71 -129.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -74.45 72.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.18 61.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.46 -170.31 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -130.13 153.1 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 22.9 m-85 -131.88 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 77.2 p -131.59 144.13 50.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.497 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -151.28 118.52 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -135.6 142.91 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.643 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.61 119.28 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.9 m-20 -116.84 132.67 56.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.9 OUTLIER 79.58 90.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 57' ' ' SER . 43.5 mt -99.38 132.95 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.2 tp -37.81 -47.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.479 ' HD2' ' CG2' ' A' ' 106' ' ' THR . 19.4 mmtt -126.85 160.86 56.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.456 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.97 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.438 ' CG2' ' O ' ' A' ' 80' ' ' PRO . 1.3 pp -155.35 151.26 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -79.42 127.54 32.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.403 HG21 ' CA ' ' A' ' 54' ' ' THR . 37.4 t -70.02 -69.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.6 -15.36 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.453 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.83 -16.06 46.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.409 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 4.5 m -83.2 167.55 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -160.03 157.68 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.447 ' CE ' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -116.5 144.29 44.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.3 mtmt -137.76 162.65 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.6 t -134.57 136.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.88 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 60.2 m -50.83 118.02 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.3 p30 45.02 37.11 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.475 HG23 ' CD ' ' A' ' 91' ' ' LYS . 49.6 m -157.55 145.06 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.461 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.4 p -114.05 125.3 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.565 HD23 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -96.25 146.95 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 60' ' ' LEU . 15.8 mm -139.91 90.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.461 HD21 ' CE ' ' A' ' 33' ' ' LYS . 2.0 mt -75.81 132.62 40.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 80.9 m -118.43 111.78 19.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.683 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -64.46 102.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HE3' ' NE1' ' A' ' 108' ' ' TRP . 1.0 OUTLIER -54.39 134.37 45.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 80' ' ' PRO . 4.3 ttpt -76.29 -32.48 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -139.95 130.58 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.06 170.18 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 55.44 47.17 21.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 5.6 m -129.95 123.01 29.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.5 150.49 23.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -118.77 100.19 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.4 -19.81 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -150.16 149.83 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.574 HD23 ' CE3' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -58.35 -37.6 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.7 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 19' ' ' LYS . 47.1 t -77.09 146.0 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' N ' HG12 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -98.63 123.3 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.0 mt -80.99 95.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -80.03 -61.28 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -85.41 120.14 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.546 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 36.5 p90 -148.46 131.7 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.11 135.39 14.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.6 p-90 -138.6 139.84 38.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.59 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -136.83 142.27 42.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.465 ' OE1' ' N ' ' A' ' 27' ' ' GLN . 10.0 pm0 -121.4 150.08 42.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -139.59 146.87 40.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.0 m-20 -65.19 74.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 7.5 mtpt 166.09 -48.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 57.1 m-85 -156.46 148.53 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 t -105.81 145.94 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 14.5 ttpt -147.18 147.34 30.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.481 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.3 mp -119.76 147.5 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -130.22 107.8 9.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.517 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.6 mp -105.98 146.42 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -90.05 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -139.34 101.26 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.421 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -77.8 115.28 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.414 ' CA ' HD13 ' A' ' 65' ' ' LEU . . . 116.56 -23.12 10.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.27 -20.19 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.82 3.39 53.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -114.64 -17.0 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 23.5 m -87.31 152.33 52.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.08 169.82 21.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -73.81 -3.54 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -85.17 -24.35 27.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 84.0 m-20 -89.13 -16.56 31.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 13.4 t -105.2 101.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -110.53 110.08 20.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -129.22 139.33 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 15.8 t-160 -130.04 130.57 45.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.653 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.27 145.72 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.481 ' CA ' HG23 ' A' ' 83' ' ' VAL . 22.9 p -128.07 -170.3 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.467 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -76.3 -34.71 59.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.494 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -144.77 59.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.478 ' CA ' HD12 ' A' ' 77' ' ' LEU . 2.9 p 165.12 176.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.661 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.39 127.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 1.6 p-10 -104.28 145.84 29.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.05 115.33 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' N ' HD13 ' A' ' 61' ' ' LEU . 71.4 t -142.12 112.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -109.7 165.03 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.472 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 8.5 t30 40.51 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -127.93 -130.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.43 71.49 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.5 20.85 68.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.86 -172.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.42 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 63.1 m -128.81 156.89 42.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.454 ' CD2' HD22 ' A' ' 38' ' ' LEU . 20.8 m-85 -132.84 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.2 p -135.42 143.49 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.533 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -152.63 119.61 5.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.661 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.24 121.11 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 20.7 m-80 -115.76 127.35 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.8 m-20 83.54 98.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.478 HD12 ' CA ' ' A' ' 57' ' ' SER . 80.9 mt -107.49 134.09 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.1 tp -38.23 -48.3 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 19.8 mmtt -128.12 156.1 76.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.494 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.97 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.441 ' CA ' ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -149.88 147.88 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -70.58 112.7 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.481 HG23 ' CA ' ' A' ' 54' ' ' THR . 29.1 t -56.89 -69.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -56.62 -16.19 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' HB2' ' A' ' 100' ' ' ARG . . . -92.1 -18.33 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' SER . 18.0 m -74.99 168.92 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.25 158.42 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -114.58 141.17 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.1 mtmt -137.17 158.38 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -135.41 138.69 47.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.468 ' CD ' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -116.77 -166.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 50.4 m -74.97 107.69 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.421 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 93.6 m-20 59.53 29.1 18.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.468 HG22 ' CD ' ' A' ' 91' ' ' LYS . 9.0 m -152.54 139.93 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.462 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.2 p -105.13 129.26 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.544 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -99.48 146.21 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.413 ' CD1' HD12 ' A' ' 60' ' ' LEU . 17.8 mm -139.47 90.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.452 HD21 ' CE ' ' A' ' 33' ' ' LYS . 1.5 mt -76.5 134.27 39.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 92.6 m -119.46 105.35 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.63 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -57.8 104.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.422 ' CE ' ' NE1' ' A' ' 108' ' ' TRP . 0.2 OUTLIER -58.37 132.2 52.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.05 -39.35 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.68 118.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -63.89 168.48 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 62.46 53.3 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 m -139.13 127.74 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.17 148.27 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.8 m0 -117.24 102.84 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 84.0 m-20 -65.05 -18.61 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.531 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 58.0 m-85 -161.84 148.26 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -52.0 -47.01 65.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 32.1 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.6 t -76.88 154.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.62 115.11 29.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.442 ' CG2' HG23 ' A' ' 36' ' ' ILE . 26.6 mt -72.93 90.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -75.44 -61.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.84 120.24 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.559 ' CG ' ' CE ' ' A' ' 72' ' ' MET . 27.9 p90 -149.3 131.99 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.47 136.19 15.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.513 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 30.2 p-90 -143.18 144.96 32.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -132.38 -170.4 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.417 ' OE1' ' HB2' ' A' ' 108' ' ' TRP . 3.7 pt20 -161.98 146.3 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -141.07 146.97 37.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 3.6 m-20 -63.37 77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 169.76 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.622 ' CE1' ' NH1' ' A' ' 100' ' ' ARG . 28.8 m-85 -156.55 166.46 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.7 t -109.46 143.87 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 9.7 ttpt -145.92 147.55 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.487 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.2 mp -125.02 151.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.602 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -131.77 115.08 15.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.524 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.8 mp -112.76 145.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.419 ' N ' HG22 ' A' ' 36' ' ' ILE . 6.0 m -92.95 104.82 17.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.522 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -137.09 99.43 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.424 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -73.58 117.19 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.443 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 115.22 -24.06 10.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.406 ' N ' HD11 ' A' ' 65' ' ' LEU . 8.2 p -58.12 -20.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -87.9 -11.64 47.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -99.14 -30.43 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 28.2 m -71.83 154.31 92.83 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.3 t -75.2 -3.62 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.17 -26.01 23.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.438 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 61.8 m-20 -83.82 -19.35 35.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG12 ' CE ' ' A' ' 88' ' ' LYS . 65.2 t -106.98 112.28 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -120.79 114.7 22.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -130.07 133.64 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.389 1.056 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.42 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.6 t-160 -122.45 138.03 54.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 49.3 m-85 -106.95 148.57 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.486 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 60.4 p -132.08 -164.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.5 pt-20 -78.62 -37.88 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . 21.3 mmm-85 -144.17 65.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.517 ' CA ' HD12 ' A' ' 77' ' ' LEU . 4.1 p 160.59 164.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -159.38 127.76 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 3.5 p-10 -106.31 143.15 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.44 116.64 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -108.32 151.14 26.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.469 ' CG1' HD21 ' A' ' 65' ' ' LEU . 72.9 t -146.77 107.64 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -104.97 162.72 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.478 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 3.0 t-20 40.95 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.522 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.52 -132.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.404 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.3 t-20 -71.89 71.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.71 62.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 ptpt -164.84 -175.8 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -124.25 151.8 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 52.6 m-85 -131.03 148.43 52.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 56.5 p -134.91 142.49 46.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.559 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -150.79 121.09 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -137.9 144.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.667 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.61 121.48 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.3 m-80 -121.13 132.45 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.0 m-20 85.8 81.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.517 HD12 ' CA ' ' A' ' 57' ' ' SER . 96.5 mt -95.61 131.99 41.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.2 tp -37.56 -51.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.5 mmtt -122.34 161.66 42.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.451 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.03 168.45 24.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.502 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -147.06 140.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 127.8 33.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 38.6 t -74.79 -68.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -48.45 -23.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.62 -30.49 9.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.519 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 4.4 m -59.05 161.28 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -160.68 157.31 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.456 ' CE ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -118.02 133.6 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -122.65 156.76 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' A' ' 89' ' ' LYS . 91.2 t -133.78 125.77 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.93 -169.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.4 m -72.17 115.52 11.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.424 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 76.7 m-20 54.23 20.19 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 91' ' ' LYS . 18.0 m -145.68 146.16 31.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.39 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.7 p -116.95 127.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 89' ' ' LYS . 5.4 mt -96.43 145.95 25.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 60' ' ' LEU . 24.5 mm -128.61 87.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.515 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.44 116.65 16.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 37.0 m -119.57 113.56 20.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.622 ' NH1' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -61.07 150.12 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.662 ' NZ ' ' HE1' ' A' ' 108' ' ' TRP . 2.1 mttm -103.01 130.71 50.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -69.9 -21.32 63.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.0 117.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -73.61 165.85 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 70.11 48.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.425 ' CG2' ' NZ ' ' A' ' 101' ' ' LYS . 1.2 m -139.88 145.37 37.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.01 135.78 53.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.662 ' HE1' ' NZ ' ' A' ' 101' ' ' LYS . 19.8 m0 -97.88 103.76 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 108.047 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 1.9 m-20 -62.97 -21.26 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 111' ' ' LEU . 72.8 m-85 -157.12 128.74 7.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.513 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -38.63 -42.4 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 11.5 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.401 ' CG2' ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 35.8 t -76.27 151.06 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -102.59 114.25 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 31.6 mt -73.3 84.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -44.42 45.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.17 119.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.473 ' CG ' ' HE3' ' A' ' 72' ' ' MET . 33.7 p90 -149.78 137.55 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.53 126.38 8.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.4 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 19.8 p-90 -129.25 150.37 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -162.92 130.85 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.454 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.5 pp0? -143.61 164.31 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -140.78 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.87 83.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER 172.8 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CE1' ' HD3' ' A' ' 100' ' ' ARG . 63.9 m-85 -152.17 169.05 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.454 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 17.1 t -116.93 136.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -146.67 140.66 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.499 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.3 mp -119.25 148.48 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.597 ' CE1' ' OD2' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -130.24 106.64 8.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.5 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -103.76 147.81 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -94.49 103.03 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -133.74 102.71 5.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.79 113.68 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.26 -22.34 9.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 15.0 p -55.65 -29.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -111.31 -25.66 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 26.5 m -83.66 151.86 62.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -74.98 174.5 12.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.6 t -76.71 -3.62 38.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -23.3 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 94.3 m-20 -92.99 -11.26 33.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.472 HG13 ' CE ' ' A' ' 88' ' ' LYS . 4.3 t -109.27 111.1 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.2 tp60 -121.87 106.85 11.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.476 HG12 ' CB ' ' A' ' 88' ' ' LYS . 0.4 OUTLIER -124.81 133.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.426 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -125.11 128.87 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 15.7 m-85 -98.39 147.36 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.432 ' OG1' ' OG ' ' A' ' 57' ' ' SER . 11.4 p -129.52 -164.95 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -75.79 -41.0 54.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.477 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.6 54.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.446 ' CA ' HD11 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.9 173.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -171.74 127.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.426 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 2.3 p-10 -105.32 153.52 21.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -146.83 114.24 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -100.27 148.48 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 65' ' ' LEU . 65.3 t -147.28 101.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -105.53 163.7 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.468 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 16.3 t-20 40.21 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -127.58 -126.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.82 73.82 5.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.22 20.03 62.49 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -167.19 -173.15 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 70.4 m -125.67 155.73 40.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.2 m-85 -131.77 151.55 51.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 18.0 p -137.82 139.82 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' ' CD1' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -147.53 118.54 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.6 mt -135.75 145.71 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.59 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.07 122.29 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.2 m-80 -119.51 129.4 54.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.1 m-20 83.22 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.446 HD11 ' CA ' ' A' ' 57' ' ' SER . 56.2 mt -98.65 132.11 44.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.3 tp -38.54 -46.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 8.5 mmtt -128.77 160.21 64.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.477 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 165.73 30.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.522 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 0.9 OUTLIER -140.64 143.02 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 99.02 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 53.8 t -41.85 -54.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' VAL . 36.9 mt-10 -39.07 -52.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 100' ' ' ARG . . . -75.28 -33.08 54.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.522 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 19.1 m -48.53 111.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . 0.447 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -128.81 170.78 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.476 ' CB ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -130.44 141.35 50.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 96' ' ' LEU . 7.4 mtmt -133.85 165.24 25.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.24 123.8 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -113.96 168.04 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 91.7 m -45.36 116.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' O ' ' OG1' ' A' ' 94' ' ' THR . 4.3 p30 45.46 39.47 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' LYS . 54.7 m -158.85 147.86 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.476 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.5 p -118.92 120.23 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 35' ' ' TYR . 2.5 mt -93.14 142.44 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.5 mm -132.18 90.94 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.02 123.62 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 14.1 m -120.76 111.5 17.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ARG . . . . . 0.646 ' HD3' ' CE1' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -57.49 146.62 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.36 127.52 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -66.86 -32.98 74.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.29 117.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.08 -179.94 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.28 39.98 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.4 m -133.5 100.53 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.84 151.52 47.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.577 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.8 m0 -117.2 97.65 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.0 m-20 -68.44 -11.48 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 77.3 m-85 -162.22 152.38 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -35.12 78.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 9.9 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m 66.45 95.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -171.8 125.99 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.14 161.29 21.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 175.99 135.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.27 159.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.26 112.7 0.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.83 151.41 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.2 m -79.26 145.39 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.51 120.19 21.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 110.984 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.3 105.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 14' ' ' THR . 73.2 p -125.9 115.4 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' THR . 13.9 p 38.61 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.28 -75.21 0.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -66.59 157.84 31.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 110.982 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.73 148.05 48.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.3 t -75.74 149.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.14 116.89 33.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mt -76.45 94.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.53 -57.49 3.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.02 119.91 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.56 ' CG ' ' CE ' ' A' ' 72' ' ' MET . 33.7 p90 -149.31 130.94 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.57 138.26 19.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.58 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.7 p-90 -144.28 149.16 35.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -144.55 152.36 40.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.58 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -133.73 145.16 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 152.76 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 34.3 m-20 -64.25 78.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 170.53 -54.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 50.3 m-85 -156.02 169.85 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.38 141.62 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.531 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 17.5 ttpt -145.72 143.45 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.4 mp -118.37 150.63 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -134.24 112.28 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.512 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 3.0 mp -111.09 148.54 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -92.42 104.2 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD22 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -135.8 103.37 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.52 108.98 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.459 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 123.5 -21.9 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.4 p -59.15 -21.96 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -89.74 2.49 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -113.34 -27.56 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 23.5 m -76.22 152.98 84.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -73.75 -3.81 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 3.9 pt-20 -85.09 -25.71 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 86.5 m-20 -89.03 -10.88 45.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.415 HG13 ' CE ' ' A' ' 88' ' ' LYS . 37.4 t -111.08 104.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -116.43 113.18 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.27 138.65 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.413 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 55.9 t60 -128.07 132.13 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.647 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.473 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 20.3 m-85 -100.43 147.82 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 57' ' ' SER . 10.1 p -129.53 -165.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.4 pt-20 -77.21 -39.5 48.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 10.9 mmm-85 -142.5 54.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.448 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.03 174.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.648 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.53 127.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.413 ' OD1' ' HB3' ' A' ' 52' ' ' HIS . 4.2 p-10 -105.94 145.57 31.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.91 115.83 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -108.59 149.49 28.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.484 ' CG1' HD22 ' A' ' 65' ' ' LEU . 93.1 t -144.32 112.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -108.7 163.45 13.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.473 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 2.0 t-20 41.0 90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.4 -130.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.37 73.71 4.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 21.36 68.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -171.69 -179.65 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.7 m -121.28 153.13 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.57 ' CD2' HD22 ' A' ' 38' ' ' LEU . 34.5 m-85 -128.42 151.16 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 60.1 p -136.74 143.77 43.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.56 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 1.5 ttm -151.11 119.37 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.47 144.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.648 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.87 120.7 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 67.3 m-80 -115.83 126.57 54.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.7 m-20 84.19 97.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.448 HD12 ' N ' ' A' ' 57' ' ' SER . 65.6 mt -107.56 133.89 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.442 ' CD1' ' HD3' ' A' ' 116' ' ' LYS . 10.3 tp -39.19 -50.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 20.2 mmtt -124.44 158.68 60.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.49 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.97 167.04 27.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -144.09 159.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -91.3 121.14 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 86' ' ' SER . 55.3 t -67.08 -68.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.36 -40.65 2.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.2 -31.95 40.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.473 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.9 m -57.09 141.69 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -144.02 159.03 43.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER -122.34 143.22 49.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -134.85 164.45 27.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.55 126.39 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.479 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 3.5 ptpt -111.09 176.78 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.2 m -55.23 119.04 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 44.79 33.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.4 m -154.86 144.92 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.484 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.1 p -113.42 130.37 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.571 HD23 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -103.83 145.09 30.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.428 ' CD1' HD12 ' A' ' 60' ' ' LEU . 15.0 mm -135.86 90.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' SER . 4.3 mt -76.32 120.87 22.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -119.96 112.61 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 2.8 mmp_? -57.37 148.06 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -95.3 115.76 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.49 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -58.88 -26.02 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.444 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -149.88 112.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -67.46 174.22 3.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 57.06 58.21 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 m -147.18 146.99 30.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.43 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.24 147.68 29.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.576 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 14.0 m0 -115.37 100.5 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.3 m-20 -66.79 -18.36 65.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 61.8 m-85 -162.58 133.65 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -41.89 -46.12 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 23.6 p -123.47 170.72 10.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' VAL . 15.9 mt-30 -76.02 -40.5 53.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' GLN . 34.1 t -40.01 -63.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -46.77 -51.32 16.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.51 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 4.4 tttt -52.09 -69.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' LYS . 9.2 mm-40 -38.29 -62.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -58.85 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -57.2 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -94.09 84.28 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.3 p -90.8 86.21 6.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.959 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -146.08 -170.5 14.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 63.88 5.97 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 t -64.92 -59.11 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.951 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 m -73.45 138.98 45.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -165.9 97.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.26 163.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.38 136.18 3.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 111.069 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.34 98.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 0.791 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -171.0 155.42 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.93 102.5 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.1 t -130.91 132.61 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -128.95 137.68 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.35 100.1 16.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 176.36 10.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pp -64.78 119.63 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 58.6 p -120.14 119.63 33.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 p 56.42 18.06 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.09 117.74 5.38 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 5.2 p90 -129.15 157.27 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.81 147.63 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' SER . 30.8 t -76.27 151.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 115.17 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 19.3 mt -72.63 109.5 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -65.41 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.02 120.06 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.577 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 22.7 p90 -148.46 133.68 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -83.8 136.63 15.12 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.572 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 36.7 p-90 -143.87 144.42 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.82 168.93 18.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.572 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.2 pm0 -147.72 144.63 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.28 151.73 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -64.38 77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER 171.26 -54.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 51.3 m-85 -155.48 166.86 32.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.79 141.69 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 10.1 ttpt -145.95 148.89 33.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.453 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.2 mp -122.19 149.69 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -133.39 104.04 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.513 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.8 mp -101.35 147.26 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -92.58 103.75 16.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.541 HD22 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -137.34 99.4 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.75 111.82 10.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.37 -24.18 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.0 p -57.06 -20.03 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -89.47 -4.13 58.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -103.19 -22.8 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 25.1 m -82.29 151.65 66.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -74.43 -3.87 33.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.4 -23.42 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 78.6 m-20 -93.63 -21.67 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' CE ' ' A' ' 88' ' ' LYS . 21.7 t -96.52 92.25 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.36 110.59 22.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.47 137.43 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.407 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 74.4 t60 -125.74 135.81 52.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 28.9 m-85 -103.95 144.75 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 57' ' ' SER . 25.1 p -127.83 -164.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -77.11 -41.71 40.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 3.5 mmm180 -141.3 54.78 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.441 ' N ' HD11 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 175.6 172.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.655 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.39 127.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.407 ' OD1' ' HB3' ' A' ' 52' ' ' HIS . 2.1 p-10 -106.07 148.49 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.515 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -145.49 114.31 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -108.52 150.35 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.473 ' CG1' HD21 ' A' ' 65' ' ' LEU . 72.4 t -145.58 106.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.54 163.81 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 5.0 t-20 40.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.483 HD23 ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -121.3 -122.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.42 76.96 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.27 19.06 68.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -169.71 -169.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 p -133.23 152.2 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.541 ' CD2' HD22 ' A' ' 38' ' ' LEU . 7.0 m-85 -129.58 148.54 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' VAL . 28.0 p -134.82 140.06 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.514 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -144.88 120.42 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.31 145.02 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.655 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.03 123.11 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 35.0 m-80 -120.33 129.08 53.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.1 m-20 84.61 86.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.441 HD11 ' N ' ' A' ' 57' ' ' SER . 57.3 mt -97.76 132.46 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 8.4 tp -39.9 -49.1 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.6 mmtt -123.66 159.02 57.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.96 167.26 27.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.505 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -150.43 141.22 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 142.18 50.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 40.4 t -87.41 -68.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -49.06 -23.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.94 -29.51 11.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.582 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.5 m -62.95 162.02 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -155.74 160.18 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.23 141.04 51.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.5 mtmt -139.06 160.69 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.3 t -134.58 128.09 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.15 177.13 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.1 m -59.32 118.28 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 49.03 32.96 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 91' ' ' LYS . 24.8 m -157.6 142.56 16.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.479 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.2 p -109.97 129.4 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' A' ' 35' ' ' TYR . 4.2 mt -100.69 147.66 25.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.479 ' CD1' HD13 ' A' ' 60' ' ' LEU . 13.7 mm -137.05 90.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 5.6 mt -77.01 120.14 21.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.1 113.75 20.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 2.7 mmp_? -58.56 148.56 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -100.02 117.94 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -58.01 -29.18 65.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.39 118.46 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.44 -179.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 49.77 56.97 7.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.7 m -140.75 146.69 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.24 155.85 18.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.8 m0 -124.61 97.94 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -67.7 -15.78 63.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.531 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 69.7 m-85 -162.43 151.18 14.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -64.03 -36.15 83.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.42 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 19.3 p -133.1 173.44 11.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' ' 78' ' ' LEU . 2.6 mm-40 -79.4 -26.28 41.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.41 -51.52 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 17.3 tt0 -52.81 -23.29 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -78.83 -50.93 10.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -67.73 -33.47 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.0 m -70.52 -49.82 44.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -56.27 -63.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -101.56 91.85 4.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -55.73 99.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t -115.57 168.51 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -126.93 148.4 17.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.443 1.76 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.51 86.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.93 116.57 11.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 61.56 145.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.769 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -175.16 156.46 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.75 -115.2 0.31 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t 65.03 143.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.029 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.85 160.61 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.38 141.51 5.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -122.32 122.28 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.12 153.17 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.17 102.59 36.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.02 3.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.5 pt -69.94 161.32 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.5 ' O ' ' C ' ' A' ' 14' ' ' THR . 70.3 p -109.14 132.51 54.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -30.91 -48.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.446 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.95 -110.61 0.49 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -166.4 175.67 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.18 147.73 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' SER . 25.7 t -76.46 151.11 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.95 118.04 35.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.1 mt -77.88 96.66 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -80.81 -63.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.39 120.35 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 31.9 p90 -149.2 127.25 11.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -74.6 139.53 25.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 42.2 p-90 -148.01 144.15 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -139.05 174.81 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' OE1' ' N ' ' A' ' 27' ' ' GLN . 13.1 pm0 -152.63 144.67 23.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 74.9 m -140.17 154.68 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 43.9 m-20 -64.53 77.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 3.2 mtmt 170.22 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 49.3 m-85 -156.21 168.04 28.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.5 t -121.41 143.82 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 5.7 ptmt -145.78 158.02 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.7 mp -127.17 145.61 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -124.26 112.56 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.509 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -111.42 145.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.426 ' N ' HG23 ' A' ' 36' ' ' ILE . 5.4 m -90.87 104.76 17.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -135.88 99.57 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -73.27 123.54 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.408 ' CA ' HD12 ' A' ' 65' ' ' LEU . . . 106.54 -22.51 30.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 9.6 p -56.33 -23.97 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.53 1.18 50.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.58 -37.53 4.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.47 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 26.4 m -65.16 153.12 90.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 169.8 21.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 -3.77 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -83.37 -24.95 31.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.429 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 15.9 m-20 -89.82 -21.14 22.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG12 ' CE ' ' A' ' 88' ' ' LYS . 22.0 t -104.06 97.96 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -112.27 113.8 26.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.06 137.21 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.422 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 59.3 t60 -125.41 136.82 53.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.512 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 31.0 m-85 -104.91 145.91 29.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' CA ' HG23 ' A' ' 83' ' ' VAL . 20.1 p -128.46 -164.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.7 pt-20 -77.52 -41.22 39.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' O ' ' HB3' ' A' ' 57' ' ' SER . 12.5 mmm-85 -141.57 55.21 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.465 ' CA ' HD11 ' A' ' 77' ' ' LEU . 1.1 p 175.01 173.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.668 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.7 127.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 4.0 p-10 -107.14 144.41 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.515 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.37 114.16 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 1.5 tm? -105.62 149.41 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.431 HG11 ' CD2' ' A' ' 65' ' ' LEU . 92.1 t -146.74 113.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -113.31 159.33 19.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.47 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 0.9 OUTLIER 44.66 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -129.99 -135.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.431 ' N ' HD13 ' A' ' 65' ' ' LEU . 1.2 t-20 -70.88 70.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.01 20.1 68.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -169.17 175.82 5.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.6 p -118.05 154.83 31.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.478 ' CB ' HD21 ' A' ' 38' ' ' LEU . 29.8 m-85 -130.93 151.08 51.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' VAL . 66.6 p -134.89 143.67 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.554 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -152.2 120.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 mt -138.55 143.57 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.668 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.9 119.16 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 10.7 m-80 -113.61 127.32 56.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.1 m-20 83.14 98.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 HD11 ' CA ' ' A' ' 57' ' ' SER . 53.6 mt -105.83 133.7 50.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.464 ' CD1' ' HD3' ' A' ' 116' ' ' LYS . 11.7 tp -40.25 -48.77 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.532 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 13.5 mmtt -122.94 159.05 55.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.442 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.54 28.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -149.43 143.55 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 134.44 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG23 ' CA ' ' A' ' 54' ' ' THR . 49.9 t -80.22 -68.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.05 -20.33 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.91 -31.3 8.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.512 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.2 m -62.24 155.24 25.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.433 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -148.79 162.35 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.503 ' CE ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -123.07 134.29 54.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mtmm -130.03 161.35 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.4 t -135.02 133.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.32 -172.85 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -67.09 107.87 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 58.78 26.52 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 55.2 m -147.32 148.76 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 60' ' ' LEU . 6.2 p -117.35 121.15 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -95.92 132.54 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.419 ' CD1' HD12 ' A' ' 60' ' ' LEU . 15.9 mm -117.95 90.39 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.4 mt -73.42 121.77 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.1 m -120.35 113.95 21.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 2.6 mmp_? -59.65 148.19 34.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -99.94 123.77 44.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -70.41 -26.66 63.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.4 t -140.88 127.66 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -74.0 177.2 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 42.34 56.23 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 2.6 m -132.24 132.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.83 146.49 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.5 m0 -112.82 103.75 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 107.987 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 3.1 m-20 -65.02 -21.72 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.482 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 90.6 m-85 -160.71 147.6 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.9 OUTLIER -50.25 -45.34 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.9 p -127.53 -179.92 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -81.77 -36.09 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.02 -64.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -44.86 -46.58 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 12.9 tttt -55.09 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' LYS . 4.4 mm-40 -38.64 -64.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.72 -55.65 13.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.471 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -46.82 -59.45 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -99.52 79.38 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -71.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.5 130.09 22.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -177.28 96.27 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 130.57 13.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.4 t 58.95 96.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 t -91.69 112.23 24.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -179.02 160.68 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.958 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -175.07 139.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.54 -137.97 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -116.54 -59.04 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.93 80.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.162 . . . . 0.0 109.959 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.98 145.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -130.12 139.58 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 p -106.07 132.26 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.19 120.6 19.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -179.98 5.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.74 101.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 p -125.9 115.34 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 p 41.33 -153.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.93 -44.07 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -171.76 170.95 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 111.038 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.17 147.17 41.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 71' ' ' SER . 39.9 t -76.72 154.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -106.26 118.94 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 33.2 mt -76.38 108.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 69.7 m -90.8 -62.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.85 119.83 24.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 29.0 p90 -149.47 128.14 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.46 140.49 23.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.594 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.3 p-90 -144.43 148.33 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -144.83 146.44 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.594 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -128.64 144.59 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 m -140.37 152.15 45.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 77.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 171.28 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 52.6 m-85 -155.74 166.14 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.21 142.0 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 18.8 ttpt -145.78 149.85 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.44 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.2 mp -124.11 148.43 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.611 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -133.42 106.37 7.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' HB ' ' CG1' ' A' ' 95' ' ' VAL . 2.9 mp -103.9 147.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -93.31 104.82 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.436 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.539 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -136.87 102.19 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.83 108.25 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.03 -25.49 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.418 ' N ' HD12 ' A' ' 65' ' ' LEU . 8.8 p -56.99 -20.36 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -89.73 1.79 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -108.79 -19.69 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 24.4 m -85.97 152.05 55.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.36 20.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -74.16 -3.75 31.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.7 pt-20 -83.68 -24.72 31.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 70.1 m-20 -89.66 -25.21 21.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.474 HG12 ' CE ' ' A' ' 88' ' ' LYS . 46.3 t -96.05 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -115.96 111.37 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.31 131.15 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.8 t-160 -120.59 132.68 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.4 m-85 -101.01 147.13 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 57' ' ' SER . 24.8 p -129.84 -164.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.1 pt-20 -77.02 -42.36 38.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 13.2 mmm-85 -140.39 54.98 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.491 ' CA ' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 176.03 170.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.682 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -167.62 127.41 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.421 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 2.1 p-10 -107.2 148.9 28.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -146.11 114.71 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.492 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.52 150.66 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' N ' HD13 ' A' ' 61' ' ' LEU . 62.5 t -145.15 104.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -98.63 162.23 13.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.472 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 8.1 t-20 39.06 89.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.5 HD22 ' CD1' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -118.4 -115.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.411 ' OD1' ' OH ' ' A' ' 70' ' ' TYR . 8.3 p30 -98.3 79.29 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.92 15.31 64.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.64 -169.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.0 m -131.22 153.63 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.539 ' CD2' HD21 ' A' ' 38' ' ' LEU . 9.3 m-85 -129.17 149.66 50.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.9 p -136.07 142.68 44.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.492 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -148.96 118.19 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -133.75 145.17 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.676 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.7 122.9 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 27.0 m120 -119.75 133.22 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.6 m-20 81.65 83.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.491 HD13 ' CA ' ' A' ' 57' ' ' SER . 61.3 mt -92.6 129.41 38.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 77' ' ' LEU . 5.0 tp -37.75 -46.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.7 mmtt -127.41 160.21 61.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.14 31.9 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.32 145.82 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -78.26 130.89 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.986 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' SER . 49.2 t -78.33 -68.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.52 -25.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.48 -30.5 9.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.6 m -62.13 150.32 38.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -144.7 162.6 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.16 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -139.33 159.41 42.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.74 126.37 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -107.34 177.55 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.5 m -58.31 121.94 12.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 44.9 29.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.498 ' O ' ' N ' ' A' ' 91' ' ' LYS . 23.4 m -153.07 142.04 21.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.479 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 6.4 p -110.96 130.21 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.574 HD22 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -101.92 147.56 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.474 ' CD1' HD12 ' A' ' 60' ' ' LEU . 14.7 mm -136.49 89.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.474 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.92 118.67 18.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 14.9 m -120.12 112.04 18.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 3.1 mmp_? -57.73 148.79 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' CE ' ' NE1' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -99.9 121.91 42.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -67.66 -26.42 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -140.74 124.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.14 178.33 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 40.39 58.23 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.439 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 2.3 m -135.49 126.48 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 151.54 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.557 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.0 m0 -120.74 98.04 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 61.2 m-20 -63.94 -19.09 64.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.528 ' CE1' ' HG3' ' A' ' 119' ' ' LYS . 88.9 m-85 -158.54 138.55 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -49.18 -36.18 18.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.1 p -124.44 157.32 35.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.409 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 24.8 tt0 -70.18 -36.97 75.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.0 p -48.04 -58.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.94 -58.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.487 ' HA ' ' CE2' ' A' ' 110' ' ' TYR . 17.4 ttpt -40.53 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' LYS . 5.1 mm-40 -37.97 -63.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 6.2 t -47.15 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.528 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 3.1 mmpt? -43.58 -61.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -45.59 -61.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -46.0 143.99 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.1 t -120.45 100.36 7.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -76.02 -174.79 37.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -49.66 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.0 m -109.87 160.28 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.8 m -53.5 110.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 55.44 101.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -139.3 142.7 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.01 176.18 42.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.74 84.52 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.0 158.18 0.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.69 97.28 0.14 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.08 136.62 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.25 143.92 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.24 115.35 17.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 88.75 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.84 155.91 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 14' ' ' THR . 29.8 p -124.3 132.87 53.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -35.58 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.42 143.63 3.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -175.52 173.44 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.74 146.96 44.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.5 t -77.11 155.08 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.04 125.1 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 32.0 mt -82.88 95.16 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -79.67 -59.89 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.13 119.99 26.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.569 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 29.0 p90 -149.43 130.9 14.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.32 138.75 18.9 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.563 1.165 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 40.6 p-90 -144.72 147.38 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -144.96 147.63 32.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.578 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 19.7 pm0 -124.88 147.78 48.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.14 151.21 45.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.8 m-20 -63.89 79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 8.9 mttt 168.9 -54.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.3 m-85 -155.71 168.09 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -114.31 140.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 12.1 ttpt -144.82 145.61 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 35' ' ' TYR . 3.6 mp -119.82 151.57 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -135.33 109.12 8.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 3.2 mp -108.2 153.32 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -96.93 104.38 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -136.6 100.43 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -72.67 123.39 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' CA ' HD13 ' A' ' 65' ' ' LEU . . . 107.44 -22.8 28.08 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' N ' HD13 ' A' ' 65' ' ' LEU . 9.8 p -58.15 -18.09 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -92.38 -5.02 52.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -107.31 -26.12 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 26.7 m -72.23 155.29 91.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.23 23.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.33 -4.61 40.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -86.57 -26.87 24.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 76.3 m-20 -86.11 -15.21 41.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.46 HG12 ' CE ' ' A' ' 88' ' ' LYS . 26.2 t -109.29 97.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.91 113.81 26.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.0 135.64 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.425 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 67.5 t60 -123.99 134.56 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 51.7 m-85 -103.86 147.43 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.474 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 34.3 p -129.22 -164.84 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 3.6 pt-20 -78.21 -39.79 39.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.73 60.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' HD12 ' A' ' 77' ' ' LEU . 4.0 p 166.21 172.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.652 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -167.21 127.97 1.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.436 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 5.0 p-10 -106.71 139.58 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.535 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -136.04 113.61 10.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.445 ' N ' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -103.9 149.22 25.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.422 ' CG1' HD22 ' A' ' 65' ' ' LEU . 94.0 t -147.15 112.39 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 64' ' ' ASN . 0.8 OUTLIER -110.78 167.08 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.475 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 1.7 t-20 38.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -125.95 -130.68 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.46 72.44 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.87 19.97 66.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -166.94 -176.18 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.7 m -125.88 151.49 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.953 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.53 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 13.4 m-85 -130.6 147.95 52.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.5 p -133.44 141.57 47.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.515 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 1.1 ttt -148.35 118.99 7.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.9 mt -136.19 144.86 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.652 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.05 121.65 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 34.0 m-20 -117.21 129.12 55.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.4 m-20 82.24 93.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 57' ' ' SER . 39.7 mt -104.46 134.99 46.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.3 tp -38.89 -47.88 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 15.8 mmtt -124.91 158.62 62.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.478 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.32 29.41 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.794 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.512 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.93 138.95 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 131.44 44.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.474 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 45.8 t -76.64 -67.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.44 -22.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.77 -31.01 8.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.524 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.8 m -60.26 158.08 12.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.465 ' O ' ' CZ ' ' A' ' 53' ' ' PHE . 1.1 m -153.23 162.48 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -125.48 137.72 53.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -134.46 162.47 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.2 t -135.04 136.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.465 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.33 -178.36 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -59.35 118.77 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.5 p30 45.03 32.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LYS . 29.1 m -153.28 144.69 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.427 HG21 ' CD1' ' A' ' 60' ' ' LEU . 6.9 p -113.91 128.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.572 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -99.3 145.23 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.494 ' CD1' HD11 ' A' ' 60' ' ' LEU . 21.7 mm -133.67 90.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.422 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.0 mt -77.11 119.34 20.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.7 m -119.0 110.44 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 108.331 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.519 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 2.8 mmp_? -58.57 148.49 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -98.56 135.25 40.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -73.8 -24.47 59.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.98 118.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.45 175.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 53.55 54.63 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.436 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 2.8 m -138.07 129.67 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.43 155.11 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.357 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.0 m0 -123.84 96.94 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 33.2 m-20 -64.14 -19.19 65.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 89.1 m-85 -162.79 141.96 8.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.469 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -50.21 -42.11 50.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.6 p -126.38 173.9 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -79.85 -34.03 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.2 t -49.52 -63.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -43.63 -52.56 6.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 4.3 ttmm -45.35 -63.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -54.19 -59.29 4.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.4 t -42.7 -58.67 2.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 108.318 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.45 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 3.5 mmmt -48.12 -63.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -83.14 85.31 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.27 -63.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.5 t -148.4 104.67 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.85 124.95 4.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 88.09 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.95 142.49 41.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.1 p -92.37 113.83 26.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.19 -58.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.43 82.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.26 157.9 9.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.99 148.28 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 -58.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.81 171.21 13.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.7 127.37 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -132.05 148.83 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.23 109.36 54.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 96.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.782 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.5 139.43 21.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.434 ' C ' ' CG2' ' A' ' 14' ' ' THR . 10.8 p -113.75 93.31 4.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.434 ' CG2' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER 39.05 82.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 39.84 -100.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -146.72 173.0 12.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.441 ' CG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -81.08 146.08 30.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -77.16 155.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.47 123.25 47.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 28.9 mt -82.57 82.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.8 t -74.84 -37.1 62.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -104.38 120.2 40.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.515 ' CG ' ' CE ' ' A' ' 72' ' ' MET . 38.2 p90 -149.5 138.05 20.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.15 128.47 9.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.523 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 27.6 p-90 -129.35 148.81 51.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -161.41 132.65 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 3.9 pp0? -140.93 167.79 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -140.0 172.09 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.91 77.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.1 mtmp? 176.66 -55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.5 m-85 -151.15 170.97 18.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 48.7 t -120.35 137.07 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 18.8 ttpt -146.88 148.31 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.4 mp -123.59 149.45 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.606 ' CD1' ' OD2' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -131.19 105.5 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.511 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.8 mp -102.71 146.42 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.44 101.25 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.543 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -131.59 107.25 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -78.26 121.21 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.465 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 108.86 -21.7 27.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.451 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 11.7 p -56.75 -21.29 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -90.38 1.42 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.622 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -113.75 -21.81 10.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 25.4 m -81.0 154.17 72.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.435 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.03 168.5 24.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -75.02 -4.68 39.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.66 -25.17 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.435 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 69.8 m-20 -85.0 -14.78 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.451 HG11 ' CE ' ' A' ' 88' ' ' LYS . 21.8 t -106.94 108.54 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -117.18 113.58 22.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -131.61 136.76 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.42 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.7 t-160 -124.83 135.59 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.433 ' CD2' ' HB2' ' A' ' 86' ' ' SER . 28.9 m-85 -102.03 146.31 28.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.456 ' OG1' ' OG ' ' A' ' 57' ' ' SER . 2.5 p -128.73 -166.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -79.88 -36.89 35.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.452 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 15.8 mmm-85 -143.93 52.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.471 ' N ' HD11 ' A' ' 77' ' ' LEU . 1.1 p 176.29 175.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.668 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.03 127.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 1.1 p-10 -105.86 145.41 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.64 116.78 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -110.42 148.34 32.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.481 ' CG1' HD21 ' A' ' 65' ' ' LEU . 72.7 t -142.19 109.4 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -105.46 159.88 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.473 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 8.4 t-20 44.27 94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.543 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -131.7 -136.15 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.1 t-20 -69.53 70.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . 65.34 20.63 67.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.495 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -169.29 177.5 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.441 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 6.8 p -118.78 154.8 32.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.509 ' CG ' HD23 ' A' ' 38' ' ' LEU . 30.6 m-85 -132.0 145.86 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.7 p -130.15 142.26 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.515 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -149.3 122.21 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -137.33 145.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.668 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.06 122.4 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 7.4 m-80 -116.72 127.12 54.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 83.06 96.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 57' ' ' SER . 43.6 mt -104.5 135.46 45.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.445 ' CD1' ' HD3' ' A' ' 116' ' ' LYS . 11.3 tp -38.91 -48.76 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.6 mmtt -128.07 159.96 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.486 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.5 Cg_endo -74.94 167.41 27.13 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.0 154.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -89.19 104.47 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 86' ' ' SER . 35.8 t -49.7 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' VAL . 38.8 mt-10 -38.76 -51.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.38 -33.53 72.96 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' SER . 14.7 m -50.06 151.25 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -156.04 158.6 38.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' CE ' HG11 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -120.4 142.55 49.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -136.92 163.23 31.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.4 t -135.44 139.03 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.7 -172.62 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.9 m -65.84 106.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 56.28 36.39 27.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.439 HG23 ' CD ' ' A' ' 91' ' ' LYS . 18.9 m -156.73 140.69 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.463 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.4 p -108.24 125.36 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.589 HD23 ' CD2' ' A' ' 35' ' ' TYR . 3.4 mt -98.2 141.6 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.401 ' CD1' HD12 ' A' ' 60' ' ' LEU . 16.9 mm -129.5 91.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.7 mt -78.01 118.22 20.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.1 m -119.64 108.04 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.515 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 1.5 mmp_? -57.29 147.59 25.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -90.24 130.19 36.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.486 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -70.01 -26.32 64.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.5 ' O ' ' CG2' ' A' ' 103' ' ' VAL . 1.7 m -150.19 111.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.13 -179.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 44.53 65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -159.09 98.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 149.62 49.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.0 m0 -111.0 92.88 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.961 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.412 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 76.6 m-20 -54.66 -23.63 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.505 ' CD2' ' HB2' ' A' ' 116' ' ' LYS . 72.1 m-85 -157.06 149.96 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -55.77 -53.53 55.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.3 p -120.16 169.64 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -68.93 -43.48 75.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 55.1 t -40.33 -64.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -42.21 -55.83 3.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 12.3 ttpt -48.46 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.27 -55.68 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.83 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.461 ' CE ' ' HA ' ' A' ' 119' ' ' LYS . 3.0 mmpt? -44.59 -51.87 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.74 -147.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -62.63 145.42 54.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.8 p -152.9 173.82 14.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -93.95 -159.72 34.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.92 3.03 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.549 1.815 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.1 163.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.6 p -100.89 105.01 16.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 m -84.94 154.79 21.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.988 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.73 -58.96 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.47 -63.27 0.62 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 m 57.96 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 110.037 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -134.72 -62.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.52 167.69 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -131.75 113.53 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 p -135.01 132.97 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.98 123.86 37.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.95 11.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pt -65.3 160.35 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.3 p -125.73 114.76 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.5 p 41.55 -158.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.18 129.01 3.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -174.45 171.18 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.7 147.41 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.7 t -76.25 155.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.25 123.85 48.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 32.5 mt -83.92 91.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -78.27 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.58 119.55 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 25.1 p90 -149.55 132.58 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.67 135.2 13.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 46.9 p-90 -141.99 148.3 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.473 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -144.94 150.88 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.532 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -129.74 145.63 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -139.99 151.02 45.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 69.0 m-20 -63.69 78.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 169.94 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 54.5 m-85 -156.07 165.78 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.52 142.01 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 22.5 ttpt -145.55 149.2 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.455 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.3 mp -124.79 147.82 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -131.13 108.48 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.484 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -106.43 147.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.87 103.86 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.534 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -134.96 99.7 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.421 HG21 ' ND2' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -75.3 110.91 10.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 122.86 -25.19 6.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.402 ' N ' HD11 ' A' ' 65' ' ' LEU . 7.8 p -56.87 -23.94 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -88.0 2.77 50.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -113.6 -25.83 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 27.6 m -78.17 154.24 79.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 168.96 23.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.9 t -74.06 -3.67 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.73 -13.28 48.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 32.7 m-20 -104.76 2.13 29.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.95 101.66 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.69 114.71 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -134.42 139.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-160 -129.92 133.58 46.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.651 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 18.7 m-85 -101.38 146.11 28.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 57' ' ' SER . 12.2 p -128.19 -166.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.2 pt-20 -74.86 -41.79 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 57' ' ' SER . 15.4 mmm-85 -141.4 54.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.482 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.76 174.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.644 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -171.28 127.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.527 ' CB ' HG12 ' A' ' 73' ' ' ILE . 1.0 OUTLIER -103.3 147.39 27.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -146.63 116.08 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -109.66 150.93 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.447 ' CG1' HD21 ' A' ' 65' ' ' LEU . 83.8 t -144.69 112.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -108.16 158.47 17.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.489 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 2.0 t-20 44.82 94.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.534 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -131.17 -129.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.421 ' ND2' HG21 ' A' ' 39' ' ' THR . 1.7 t-20 -74.59 71.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.86 16.84 64.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -165.57 -179.6 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 65.8 p -121.86 149.16 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -127.14 149.86 49.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' VAL . 55.1 p -133.18 142.78 48.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.514 ' HE3' ' CG ' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -146.67 121.12 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.527 HG12 ' CB ' ' A' ' 59' ' ' ASP . 14.4 mt -134.62 146.65 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.642 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -130.34 128.17 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.8 m-20 -127.84 128.67 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.5 m-20 85.21 84.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' ' 57' ' ' SER . 73.5 mt -95.4 131.56 41.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 77' ' ' LEU . 13.3 tp -39.44 -46.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 25.6 mmtt -127.6 159.92 63.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.405 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.03 166.58 28.86 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.09 138.46 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.95 132.95 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' SER . 68.0 t -79.01 -68.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -47.67 -25.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.55 -25.29 21.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.511 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 2.1 m -64.91 156.12 32.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 98' ' ' LEU . 11.4 m -153.64 168.58 25.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -132.43 145.88 51.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 96' ' ' LEU . 2.5 mtmm -137.84 165.18 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.7 t -134.97 125.95 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.485 ' CD ' HG21 ' A' ' 94' ' ' THR . 0.0 OUTLIER -111.92 172.1 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 96.8 m -50.27 117.77 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.2 p30 44.97 38.55 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.485 HG21 ' CD ' ' A' ' 91' ' ' LYS . 25.5 m -159.01 144.9 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 5.7 p -113.79 124.32 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.573 HD22 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -96.8 145.64 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 60' ' ' LEU . 13.3 mm -136.92 90.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.1 mt -76.31 122.7 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.9 m -119.86 113.94 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.509 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 3.1 mmp_? -58.39 148.43 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 3.8 mttt -101.0 124.94 47.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -66.14 -27.77 68.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.48 116.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -66.99 172.3 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 m120 59.01 49.7 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.453 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.2 m -139.05 106.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.0 44.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 11.6 m0 -119.2 93.94 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.6 OUTLIER -58.87 -18.88 36.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.532 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 89.2 m-85 -162.46 147.27 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -58.65 -31.93 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 11.1 p -142.19 151.08 41.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.447 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -56.87 -39.42 74.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 118' ' ' CYS . 2.6 p -42.75 -61.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -43.95 -44.61 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -56.82 -47.96 79.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -77.59 -13.72 59.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -83.95 -57.22 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -52.98 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.83 85.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.28 99.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.7 p -46.42 115.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.97 -162.01 0.1 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.38 5.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.551 1.817 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.05 81.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.056 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.6 m -81.51 129.17 34.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 110.967 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -70.01 92.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -162.67 161.73 26.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.65 -145.83 5.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m 61.11 148.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 p -150.38 126.46 10.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.37 162.25 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.435 1.084 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 8' ' ' VAL . 9.7 p -114.77 98.08 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.39 151.69 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.97 108.53 15.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.08 38.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 pt -65.36 123.97 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 p -90.19 92.3 8.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p 46.41 25.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.33 81.73 0.33 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -88.28 -164.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.414 HG21 ' N ' ' A' ' 70' ' ' TYR . 0.2 OUTLIER -117.58 147.14 43.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' SER . 40.4 t -76.93 152.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 118.46 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.406 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 26.9 mt -77.02 91.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -52.38 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.13 119.68 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.529 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 25.5 p90 -150.07 136.3 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.55 130.52 10.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.418 1.074 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.46 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.8 p-90 -132.93 154.82 50.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.596 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -168.52 131.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.426 ' NE2' ' HB2' ' A' ' 108' ' ' TRP . 2.8 pp0? -136.86 165.32 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.29 170.69 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 22.0 m-20 -65.28 82.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER 169.89 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 52.1 m-85 -150.95 169.91 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 ' CG2' ' HE3' ' A' ' 101' ' ' LYS . 41.7 t -120.15 137.93 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 19.9 ttpt -146.26 148.9 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.4 mp -125.44 151.63 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.597 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.7 OUTLIER -133.17 107.82 8.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.505 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.6 mp -105.07 145.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.417 ' N ' HG23 ' A' ' 36' ' ' ILE . 3.2 m -92.99 101.32 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.501 HD23 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -133.11 105.8 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 1.6 m -79.31 111.07 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.52 -25.78 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.64 -20.75 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -90.26 -1.52 57.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -107.26 -22.25 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 26.2 m -82.62 152.06 66.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -74.96 170.55 20.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -73.54 -3.24 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -83.81 -23.81 31.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 97.7 m-20 -93.93 -6.72 44.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 39.3 t -112.54 105.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . 1.6 tp-100 -119.06 106.24 12.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -123.28 131.3 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-80 -120.58 134.9 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.627 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 39.2 m-85 -103.04 144.95 30.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.429 ' OG1' ' OG ' ' A' ' 57' ' ' SER . 21.3 p -127.06 -164.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.7 pt-20 -78.16 -39.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 18.4 mmm-85 -142.01 53.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.474 ' CA ' HD13 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 176.15 174.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.657 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -171.38 127.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 2.4 p-10 -106.76 151.24 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.05 113.14 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 50' ' ' GLN . 3.4 tm? -98.06 146.1 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.474 ' CG1' HD23 ' A' ' 65' ' ' LEU . 84.9 t -147.46 102.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.413 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -105.62 166.55 10.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.466 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 4.1 t-20 38.7 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.496 HD22 ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -123.89 -125.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -82.86 74.56 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.96 19.82 63.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.505 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -165.79 -170.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.403 ' C ' ' CD1' ' A' ' 70' ' ' TYR . 6.2 m -128.85 157.34 41.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 13.9 m-85 -136.45 149.93 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.4 p -136.33 142.24 43.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.512 ' HE2' ' CG ' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -147.62 120.13 8.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.43 144.84 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.639 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -126.76 122.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.54 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.4 m-80 -120.32 130.32 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.3 m-20 85.12 83.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.474 HD13 ' CA ' ' A' ' 57' ' ' SER . 71.9 mt -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.408 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.8 tp -39.53 -46.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 12.2 mmtt -127.94 160.66 60.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.407 ' N ' ' HD3' ' A' ' 56' ' ' ARG . 18.4 Cg_endo -74.97 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.55 149.16 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 126.64 31.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' SER . 40.8 t -74.2 -68.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.86 -37.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.09 -32.18 29.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.585 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.8 m -55.6 157.16 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.411 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 2.5 m -155.02 161.49 41.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.496 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.62 139.93 53.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -136.85 161.72 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.31 132.84 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -114.83 178.37 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 51.5 m -59.22 121.36 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.8 p30 45.64 31.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 28.9 m -156.41 146.2 21.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 60' ' ' LEU . 7.2 p -114.75 128.26 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.492 ' CD2' ' HD2' ' A' ' 33' ' ' LYS . 4.4 mt -96.59 148.26 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 60' ' ' LEU . 16.7 mm -136.37 90.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.478 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -77.14 118.8 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.8 m -119.86 108.74 14.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.306 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.524 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 2.0 mmp_? -57.64 147.31 27.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.443 ' HE3' ' CG2' ' A' ' 32' ' ' VAL . 17.8 mttt -94.87 143.64 26.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -89.5 -27.1 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -145.39 117.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.82 -174.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 40.5 44.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -129.13 103.24 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 141.67 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 11.4 m0 -107.05 100.77 10.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 16.0 m-20 -67.03 -16.78 64.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.461 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 75.0 m-85 -160.08 157.42 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.46 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -69.46 -28.56 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 15.1 p -145.49 152.94 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' LYS . 28.8 mt-30 -56.82 -39.12 73.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 p -42.39 -60.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 14.3 tt0 -45.46 -33.91 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' GLN . 17.9 tttt -71.65 -56.87 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -60.91 -24.93 66.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.7 t -83.53 -59.66 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 1.5 mmpt? -46.0 -51.42 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.12 -56.05 19.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -55.62 121.12 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.9 t 44.41 87.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.74 -162.1 10.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.4 m -68.38 -56.84 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.5 m -92.43 113.68 26.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -162.92 172.05 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.068 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m 62.04 154.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.28 -95.28 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.33 116.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 110.057 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.69 129.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.42 116.68 0.54 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -106.52 143.09 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.08 139.32 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.59 127.0 45.49 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 116.61 4.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.6 pt -65.51 152.47 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' THR . 64.3 p -113.36 131.84 55.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -34.89 124.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -137.16 116.14 1.34 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.55 158.49 16.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.759 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.9 147.34 48.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' SER . 17.7 t -77.84 154.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -107.21 116.04 31.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mt -75.18 100.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.9 m -86.08 -55.08 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -87.48 120.25 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.558 ' CD2' ' HE2' ' A' ' 72' ' ' MET . 18.4 p90 -149.37 137.26 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.74 135.94 13.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.534 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.3 p-90 -139.15 151.99 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.83 -177.46 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' A' ' 108' ' ' TRP . 21.1 pt20 -163.63 136.41 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.7 t -140.76 128.77 21.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.9 m-20 -41.51 91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.77 -55.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 47.2 m-85 -156.32 166.62 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.98 139.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 10.4 ttpt -145.09 148.34 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.5 mp -121.84 149.23 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -133.45 103.6 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.475 ' HB ' ' CG1' ' A' ' 95' ' ' VAL . 2.7 mp -98.82 146.27 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.408 ' N ' HG21 ' A' ' 36' ' ' ILE . 15.5 m -93.25 101.78 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.401 HD23 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -135.42 104.89 6.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -79.57 104.25 10.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 130.91 -28.0 3.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.82 -18.08 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 93' ' ' ASP . 21.8 p-80 -90.11 -6.03 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -102.47 -20.92 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 22.0 m -82.06 150.29 64.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -75.0 169.92 21.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.4 t -72.31 -8.67 56.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -79.93 -22.0 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 84.2 m-20 -94.63 -19.94 20.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG11 ' CE ' ' A' ' 88' ' ' LYS . 92.9 t -99.75 99.64 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -113.29 112.63 24.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.68 135.1 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 69.7 t60 -124.48 134.27 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.559 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 37.5 m-85 -102.3 144.21 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.5 p -126.98 -167.0 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.3 pt-20 -74.16 -41.82 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.467 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 4.5 mmm180 -141.53 59.87 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.449 ' N ' HD11 ' A' ' 77' ' ' LEU . 2.1 p 169.23 170.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.663 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.98 127.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 3.7 p-10 -105.66 147.16 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.499 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -144.72 115.34 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.72 148.72 30.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 65' ' ' LEU . 85.7 t -144.41 104.38 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -98.51 163.52 12.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 3.5 t-20 40.07 91.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD21 ' CG1' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -119.83 -120.53 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.77 78.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.49 18.47 67.79 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.99 -170.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 70.9 m -131.48 150.53 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.478 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 10.4 m-85 -128.22 148.21 50.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' VAL . 36.8 p -134.46 142.11 46.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.558 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -147.78 119.31 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -135.32 144.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.663 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.57 121.81 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 5.2 m-80 -117.99 132.47 56.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER 79.07 91.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 57' ' ' SER . 40.7 mt -99.52 132.29 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 77' ' ' LEU . 5.4 tp -37.24 -45.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HB2' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mmtt -127.49 160.14 61.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.467 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.02 165.03 32.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.514 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -147.95 140.71 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.33 138.69 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.82 -68.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -49.87 -22.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.02 -29.44 10.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -61.41 163.25 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 m -157.94 159.91 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.68 140.27 53.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 96' ' ' LEU . 4.6 mtmt -138.04 158.31 44.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.5 t -134.27 128.04 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.11 178.45 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.0 m -63.34 118.69 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 42' ' ' HIS . 74.2 m-20 51.87 28.03 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 91' ' ' LYS . 25.0 m -154.74 145.04 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.475 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.5 p -113.76 130.43 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.604 HD22 ' CD2' ' A' ' 35' ' ' TYR . 4.1 mt -101.38 147.77 25.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.483 ' CD1' HD11 ' A' ' 60' ' ' LEU . 17.4 mm -137.0 90.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.477 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -76.82 120.72 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 36.1 m -120.37 109.75 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.532 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 3.0 mmp_? -58.02 148.26 26.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -98.91 136.23 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -75.73 -23.58 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.27 118.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.63 172.39 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 52.3 60.73 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.449 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.1 m -131.74 146.2 52.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -105.67 136.6 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -113.08 92.56 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.509 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 11.4 m-20 -61.99 -14.57 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 115' ' ' GLU . 80.4 m-85 -161.57 139.72 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.534 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -50.74 -36.26 35.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.2 p -124.74 160.47 28.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 17.8 tt0 -74.92 -12.38 60.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 117' ' ' GLU . 83.5 t -72.0 -58.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -41.27 -29.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -69.96 -50.86 37.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 114' ' ' VAL . 2.5 pt-20 -71.89 -33.81 68.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.0 m -69.21 -54.16 16.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 108.287 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -55.15 -58.14 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -75.83 87.7 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.35 100.08 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 56.04 105.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.29 98.63 0.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 66.36 6.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.506 1.792 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.4 -170.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.5 m -93.29 110.17 21.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -168.53 113.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.83 110.19 10.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.09 90.56 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.51 97.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.11 133.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.0 59.15 0.52 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -122.93 124.35 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.2 121.53 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.85 127.0 23.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 83.86 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -106.33 109.11 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' GLY . 26.2 p -115.22 109.25 17.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p 38.93 29.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 13' ' ' THR . . . -127.7 108.42 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -168.92 152.74 5.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -128.4 147.03 50.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.435 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -76.21 155.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.07 122.84 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 31.1 mt -84.68 92.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.557 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 63.1 m -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.96 119.79 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 21' ' ' SER . 16.7 p90 -149.75 135.11 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.448 ' O ' ' CG2' ' A' ' 34' ' ' ILE . . . -80.0 139.29 21.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 36.2 p-90 -145.9 157.45 43.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -158.6 173.53 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.9 pm0 -151.38 146.29 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -139.89 154.57 47.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.7 m-20 -63.57 79.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.8 mtmt 167.64 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 42.0 m-85 -155.49 167.72 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.2 t -119.45 142.68 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.525 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 3.0 ptmt -146.5 156.56 43.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.448 ' CG2' ' O ' ' A' ' 24' ' ' GLY . 3.6 mp -127.25 142.64 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.525 ' CZ ' ' HG3' ' A' ' 33' ' ' LYS . 2.6 m-85 -119.77 109.73 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -109.7 148.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.93 114.02 26.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.555 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -146.33 101.87 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -75.23 120.7 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.469 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 110.66 -23.5 19.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.414 ' N ' HD11 ' A' ' 65' ' ' LEU . 7.3 p -56.73 -25.9 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -84.65 -2.83 58.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -107.98 -36.17 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 25.5 m -66.74 154.05 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.02 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -74.46 -3.7 32.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -86.79 -29.21 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 59.1 m-20 -81.42 -15.61 54.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.546 HG12 ' CE ' ' A' ' 88' ' ' LYS . 58.3 t -110.92 112.79 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -118.92 116.38 26.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.237 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.416 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -132.91 135.6 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 75.9 t60 -124.7 137.67 54.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 29.8 m-85 -106.46 145.82 31.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.477 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 74.0 p -131.03 -164.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 4.3 pt-20 -77.54 -40.94 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' SER . 11.8 mmm-85 -142.32 67.11 1.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.512 ' CA ' HD12 ' A' ' 77' ' ' LEU . 2.4 p 159.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.68 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.35 127.64 5.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.569 ' CB ' HG12 ' A' ' 73' ' ' ILE . 3.6 p-10 -105.27 143.65 33.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.08 117.09 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -111.57 147.86 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.437 ' CG1' HD23 ' A' ' 65' ' ' LEU . 71.3 t -142.33 115.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -111.25 162.77 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.466 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 3.5 t30 40.46 90.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.555 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.01 -132.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.01 70.5 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.07 21.38 61.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.548 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 2.5 ptpt -163.59 -169.91 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.455 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 1.2 m -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 24.3 m-85 -131.48 148.72 52.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.552 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 1.3 ttt -149.38 122.09 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.569 HG12 ' CB ' ' A' ' 59' ' ' ASP . 8.9 mt -135.56 143.75 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.68 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.6 119.08 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 84.0 m-20 -119.84 131.08 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.8 m-20 85.66 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.512 HD12 ' CA ' ' A' ' 57' ' ' SER . 97.1 mt -96.0 131.4 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.447 ' CD1' ' HD3' ' A' ' 116' ' ' LYS . 11.7 tp -38.07 -48.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mmtt -124.84 159.25 59.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.94 28.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.509 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.0 138.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.5 143.64 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 46.0 t -87.32 -68.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -54.44 -19.3 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.54 -31.74 8.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -64.81 157.14 28.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.09 161.73 41.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.546 ' CE ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -122.56 131.87 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.8 mtmt -125.95 163.16 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.7 t -134.88 123.9 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 m -53.8 119.14 4.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 44.21 34.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 36' ' ' ILE . 37.7 m -155.77 148.28 23.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.408 ' N ' HG23 ' A' ' 94' ' ' THR . 5.3 p -118.53 115.34 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.462 HD23 ' CD1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -88.88 132.24 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 15.9 mm -117.4 90.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.98 120.57 18.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 58.6 m -119.91 111.98 18.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.24 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.537 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 3.3 mmp_? -58.43 148.35 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 4.7 mttt -100.11 124.6 45.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -65.32 -27.44 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.42 115.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.07 172.14 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 60.52 53.59 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.408 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.1 m -138.23 144.75 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -105.4 144.8 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.551 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.4 m0 -113.26 98.44 7.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 13.6 m-20 -64.97 -17.76 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.541 ' CD2' ' HB2' ' A' ' 116' ' ' LYS . 37.7 m-85 -162.46 146.92 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -54.96 -44.97 74.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 12.7 p -130.03 157.03 43.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 114' ' ' VAL . 38.7 mt-30 -60.52 -38.37 84.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 113' ' ' GLN . 2.2 p -39.78 -63.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -48.5 -52.72 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.541 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 29.7 ttpt -49.09 -68.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' LYS . 19.1 mm-40 -38.31 -65.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.9 t -49.36 -61.9 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.17 -63.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -89.51 89.43 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 151.39 36.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m -92.96 147.85 22.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.39 -117.47 1.71 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.45 5.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.0 p -163.24 139.76 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.8 p -99.96 122.48 42.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -128.88 159.96 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -174.42 165.16 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.18 154.51 6.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -164.27 169.03 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.69 160.65 8.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.3 116.95 0.82 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.0 t -131.94 141.44 45.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.59 156.72 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.33 141.83 28.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 150.87 39.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 pt -70.76 160.76 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 14' ' ' THR . 19.9 p -95.69 134.84 38.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.5 OUTLIER -33.5 -41.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.54 -125.33 3.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -177.28 156.7 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 110.95 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.419 ' CG2' ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -115.96 147.44 41.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.367 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 39.3 t -76.29 153.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -105.9 116.35 31.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 17.7 mt -74.78 93.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -44.4 16.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.1 119.55 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.581 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 24.5 p90 -149.64 131.99 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.15 134.36 12.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.6 p-90 -138.1 151.2 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -148.06 144.26 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.586 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -127.12 144.88 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 41.0 m -140.25 151.04 44.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.05 80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER 168.51 -55.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 41.8 m-85 -154.82 168.62 26.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 33' ' ' LYS . 57.8 t -116.15 138.03 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.538 ' HD3' ' CD2' ' A' ' 98' ' ' LEU . 12.5 ttpt -141.79 149.1 39.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.49 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.4 mp -123.3 149.16 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -131.78 105.05 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.509 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.9 mp -104.3 149.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 102.25 14.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.533 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -135.01 101.88 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.16 118.39 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.452 ' CA ' HD13 ' A' ' 65' ' ' LEU . . . 113.58 -23.81 13.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' N ' HD13 ' A' ' 65' ' ' LEU . 8.3 p -56.1 -26.07 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.28 3.26 40.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.631 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -114.77 -33.84 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.474 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 22.3 m -65.61 155.41 85.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.04 169.5 22.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -75.32 -7.28 53.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.13 -28.96 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 52.0 m-20 -79.9 -26.03 40.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG11 ' CE ' ' A' ' 88' ' ' LYS . 26.9 t -99.35 112.42 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -124.03 111.44 15.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -126.17 138.43 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.417 ' N ' HG21 ' A' ' 51' ' ' VAL . 11.9 t-160 -124.61 135.59 53.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.2 m-85 -105.98 137.13 44.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.418 ' OG1' ' OG ' ' A' ' 57' ' ' SER . 14.2 p -121.71 -166.34 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -78.87 -36.77 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 12.9 mmm-85 -143.76 55.11 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.493 ' CA ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.44 172.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.671 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -170.89 127.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 1.7 p-10 -109.29 148.66 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.492 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.22 114.64 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.409 ' N ' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -101.57 148.19 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.473 ' CG1' HD23 ' A' ' 65' ' ' LEU . 97.7 t -146.83 101.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -104.03 160.26 14.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.474 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 3.2 t30 43.34 92.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.533 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -127.33 -131.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -75.09 72.13 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.12 20.44 64.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.76 -169.95 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.419 ' HB2' ' CG2' ' A' ' 17' ' ' THR . 17.2 p -134.36 151.6 51.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.549 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 19.3 m-85 -130.51 151.09 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.2 p -133.16 138.48 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.518 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -144.86 118.87 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.52 143.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.647 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.14 122.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 60.0 m-80 -119.0 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.7 OUTLIER 78.61 85.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.493 HD12 ' CA ' ' A' ' 57' ' ' SER . 37.4 mt -94.76 132.07 39.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 77' ' ' LEU . 5.0 tp -38.53 -47.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.5 mmtp -127.92 159.81 64.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 166.02 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.515 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -144.32 138.06 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -72.06 117.99 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.11 -60.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -48.82 -22.25 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.6 -25.56 9.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.548 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 73.3 m -59.58 154.89 16.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 0.749 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 m -155.63 157.63 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.471 ' CE ' HG11 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -118.82 143.41 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 4.8 mtmt -138.8 161.09 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.02 131.13 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -116.63 172.2 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.1 m -51.54 118.55 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.97 37.56 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.413 ' O ' ' N ' ' A' ' 91' ' ' LYS . 38.5 m -158.79 142.59 15.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.487 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.4 p -111.29 126.23 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.51 ' CD2' ' HD2' ' A' ' 33' ' ' LYS . 3.4 mt -98.41 145.95 26.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.408 ' CD1' HD13 ' A' ' 60' ' ' LEU . 17.0 mm -135.41 91.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.538 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -76.63 118.56 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 8.7 m -119.6 106.92 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.286 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 81' ' ' ILE . 1.9 mmp_? -57.71 148.39 24.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 10.4 mttt -97.41 144.12 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -83.56 -25.91 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -150.23 117.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -61.48 178.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 45.44 61.67 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.43 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 2.5 m -144.2 100.48 3.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.52 148.35 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.9 m0 -115.39 95.81 5.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -57.75 -28.49 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 116' ' ' LYS . 74.8 m-85 -150.18 138.24 20.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.1 OUTLIER -48.89 -32.04 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.4 p -127.22 154.17 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 22.9 tt0 -67.34 -39.11 85.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 115' ' ' GLU . 2.5 p -42.83 -61.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.503 ' HB3' ' CG ' ' A' ' 110' ' ' TYR . 0.3 OUTLIER -38.36 -57.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.563 ' HA ' ' CE2' ' A' ' 110' ' ' TYR . 3.8 ttpt -40.52 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 116' ' ' LYS . 36.6 mm-40 -37.55 -67.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 31.9 t -43.05 -61.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.332 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.521 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 2.6 mmpt? -47.32 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -49.48 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.93 163.66 34.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.4 m 61.13 104.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.58 142.72 3.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.5 t -165.25 102.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -83.35 121.94 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 62.53 165.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -91.9 147.51 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.037 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.54 128.07 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -137.5 151.81 48.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 p -166.76 158.94 13.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.71 157.85 29.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -93.62 116.39 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -86.73 143.35 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.2 108.52 15.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.4 4.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 pt -64.91 142.87 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' THR . 28.8 p -114.07 134.45 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -34.58 137.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.32 118.78 2.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -175.52 -179.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.991 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.66 146.46 50.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.23 150.67 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 112.27 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mt -78.36 72.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -43.69 84.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -95.57 119.55 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.513 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 38.3 p90 -150.04 138.54 20.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.39 131.09 10.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CE3' HD21 ' A' ' 111' ' ' LEU . 36.4 p-90 -133.53 147.62 51.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.608 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -160.61 133.89 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.473 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -147.23 163.91 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.83 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.66 84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 171.27 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.3 m-85 -146.96 170.28 17.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.473 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 47.5 t -119.02 137.28 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 10.8 ttpt -146.36 146.24 30.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.444 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.9 mp -120.99 149.53 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.608 ' CE1' ' OD2' ' A' ' 26' ' ' ASP . 0.7 OUTLIER -131.7 104.08 6.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 3.0 mp -101.92 149.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.555 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -137.11 100.99 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.22 122.08 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.419 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 109.44 -23.34 22.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -55.98 -25.25 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -87.51 5.13 40.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.32 -30.17 7.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 34.2 m -72.91 156.37 89.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.412 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -74.95 169.95 21.48 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t -77.24 -3.5 40.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.04 -19.53 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.412 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 44.2 m-20 -89.65 -17.64 28.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG12 ' CE ' ' A' ' 88' ' ' LYS . 47.1 t -103.25 110.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -117.43 114.27 23.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -133.42 133.58 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 66.1 t60 -123.97 131.45 53.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 68.1 m-85 -101.46 148.66 24.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 57' ' ' SER . 54.6 p -131.55 -164.53 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.8 pt-20 -78.86 -37.23 40.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 15.5 mmm-85 -143.75 61.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.486 ' CA ' HD13 ' A' ' 77' ' ' LEU . 3.5 p 164.31 166.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.654 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -163.15 127.75 3.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.429 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 4.0 p-10 -106.0 144.54 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.92 117.59 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.513 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -112.99 149.26 33.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.463 ' CG1' HD21 ' A' ' 65' ' ' LEU . 93.1 t -142.19 104.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -98.24 153.38 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.478 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 2.3 t-20 49.83 101.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.555 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -139.66 -131.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.6 69.33 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.31 18.79 63.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -165.78 -172.03 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 17.1 m -125.63 156.85 38.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 32.7 m-85 -135.85 129.28 32.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.8 p -114.01 143.48 44.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.513 ' HE1' ' CG ' ' A' ' 23' ' ' TYR . 1.1 ttm -151.66 118.59 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.97 146.58 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.654 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.1 122.53 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 30.2 m-20 -118.35 128.13 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 82.61 90.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 HD13 ' CA ' ' A' ' 57' ' ' SER . 69.1 mt -99.28 134.98 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.3 tp -37.79 -46.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 26.9 mmtt -129.64 161.66 57.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.03 165.64 30.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.523 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -142.93 141.36 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.6 OUTLIER -76.93 112.89 14.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.956 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 86' ' ' SER . 13.3 t -58.68 -66.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.75 -44.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.15 -33.3 45.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 82' ' ' SER . 73.7 m -52.03 155.53 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 2.0 m -159.62 159.87 33.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -121.0 144.46 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.7 mtmt -138.45 162.93 33.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.9 132.17 53.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.483 ' CD ' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -117.1 175.01 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 95.9 m -52.25 117.27 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.0 p30 44.87 37.75 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.483 HG22 ' CD ' ' A' ' 91' ' ' LYS . 45.0 m -157.34 144.73 18.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.426 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.6 p -112.82 124.35 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.587 HD22 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -95.85 144.41 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.411 ' CD1' HD11 ' A' ' 60' ' ' LEU . 21.1 mm -133.23 91.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -78.02 119.32 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.1 m -119.65 105.04 10.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.277 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.523 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 1.9 mmp_? -56.71 147.67 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 11.8 mttt -94.36 148.35 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -87.7 -26.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -152.3 116.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.94 169.49 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.47 35.76 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.414 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 2.6 m -128.95 96.6 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.55 154.5 32.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.475 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.6 m0 -117.44 99.92 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.45 -28.26 68.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.426 ' CE1' ' HG3' ' A' ' 119' ' ' LYS . 80.7 m-85 -141.97 164.29 30.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.578 HD21 ' CE3' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -71.48 -31.16 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 p -135.45 149.1 49.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -57.38 -38.42 74.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 118' ' ' CYS . 3.2 p -46.87 -59.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 4.1 tt0 -39.28 -35.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HD3' ' CD1' ' A' ' 78' ' ' LEU . 0.8 OUTLIER -73.09 -53.93 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.36 -15.41 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -95.83 -51.65 4.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 108.269 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -57.31 -41.66 80.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 2.6 mm-40 -120.73 -173.0 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 0.4 OUTLIER 85.53 -62.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.239 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.3 t -125.95 80.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.94 -167.46 40.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 171.09 18.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.43 1.753 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.9 t -107.18 106.84 17.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.31 97.88 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -161.44 170.03 20.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.41 155.69 46.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.12 -178.74 18.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.584 1.178 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.02 134.89 3.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 0.765 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -161.28 175.74 11.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.063 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.32 112.06 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 p -131.92 132.81 61.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.74 145.31 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.99 122.38 24.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 159.14 41.87 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.419 ' N ' HD12 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -66.46 157.79 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 14' ' ' THR . 32.2 p -116.31 131.3 56.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -33.42 142.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.93 -116.87 0.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -176.94 -178.24 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 110.984 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.87 147.13 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.376 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.5 t -78.0 150.87 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.04 114.85 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mt -74.69 95.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -83.15 -50.5 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.97 120.29 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 26.3 p90 -149.04 134.39 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.31 134.11 12.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.6 p-90 -137.21 152.25 49.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.612 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -166.58 134.03 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 108' ' ' TRP . 3.0 pp0? -137.96 165.06 27.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.6 170.49 15.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.37 82.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER 171.05 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 50.7 m-85 -148.7 170.19 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 25.1 t -117.11 138.76 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.552 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 10.3 ttpt -145.72 148.34 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.491 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.3 mp -124.8 154.46 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -136.16 107.9 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.511 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 3.0 mp -107.59 148.52 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.64 113.14 25.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.512 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -145.5 99.57 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -75.44 111.91 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.424 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 121.07 -24.61 7.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.33 -24.28 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -87.94 3.74 47.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 -21.45 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 24.0 m -82.74 153.32 67.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 170.07 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -74.24 -3.7 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -84.39 -24.6 29.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 53.6 m-20 -90.4 -13.45 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 16.9 t -106.45 102.1 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -114.22 111.45 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.84 133.25 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 t-160 -122.65 127.97 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -94.1 153.6 18.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 57' ' ' SER . 25.5 p -134.19 -167.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -80.3 -35.58 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.49 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -143.4 58.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.468 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.2 p 166.0 178.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.66 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.45 128.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 4.5 p-10 -106.41 142.37 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -139.83 115.6 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -108.12 150.7 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.438 ' N ' HD11 ' A' ' 61' ' ' LEU . 69.4 t -143.99 116.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -112.85 164.26 13.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.46 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 40.53 91.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.49 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -127.95 -128.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -79.06 73.27 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.43 19.15 66.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.36 -173.82 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.754 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.9 m -125.76 159.18 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.512 ' CD2' HD21 ' A' ' 38' ' ' LEU . 25.1 m-85 -134.79 147.37 49.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' VAL . 50.8 p -132.24 142.33 49.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.515 ' HE3' ' CG ' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -150.83 119.03 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.3 mt -135.18 144.85 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.66 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.92 123.16 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 25.7 m120 -120.19 130.73 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.3 m-20 83.29 90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 57' ' ' SER . 58.0 mt -102.28 134.69 45.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' LEU . 9.3 tp -39.1 -46.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 18.7 mmtt -129.35 160.1 65.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.49 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.99 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.524 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -141.92 141.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -78.82 103.23 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' SER . 22.2 t -51.4 -61.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' VAL . 44.0 mt-10 -38.8 -51.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -30.58 61.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 82' ' ' SER . 21.6 m -51.31 153.38 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.2 161.05 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -122.15 142.73 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.4 mtmt -137.03 161.95 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.9 130.39 52.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 2.4 ptpt -113.45 -178.15 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 89.4 m -60.92 118.82 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 92' ' ' THR . 3.9 p30 46.11 30.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 91' ' ' LYS . 19.9 m -152.53 143.92 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.414 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.2 p -111.31 131.45 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' CD2' ' HD2' ' A' ' 33' ' ' LYS . 3.7 mt -102.98 143.73 32.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 60' ' ' LEU . 19.5 mm -133.04 90.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.52 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.3 mt -76.09 119.34 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.3 m -119.71 103.17 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.524 ' O ' ' CB ' ' A' ' 81' ' ' ILE . 1.6 mmp_? -56.83 147.95 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -92.29 153.96 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -91.25 -25.05 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.63 117.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -61.65 173.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 55.57 50.91 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.425 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -139.12 102.12 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -71.16 152.25 43.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.6 m0 -116.75 99.22 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.528 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 28.6 m-20 -66.96 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 116' ' ' LYS . 90.6 m-85 -162.05 154.08 19.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -66.75 -35.53 80.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 19.4 p -137.67 152.67 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 114' ' ' VAL . 73.0 mt-30 -58.1 -40.02 80.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 113' ' ' GLN . 2.4 p -40.01 -61.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.459 ' HG2' ' CD ' ' A' ' 119' ' ' LYS . 15.3 tt0 -49.23 -53.67 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 33.0 ttpt -50.76 -67.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -45.04 -49.61 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 15.5 m -53.78 -68.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -42.33 -47.56 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.03 -169.36 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.47 -177.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.73 123.93 8.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -179.72 148.99 8.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.92 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.28 144.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.3 p -59.23 130.63 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -168.71 170.92 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.43 -60.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.951 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.98 -120.29 12.07 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 68.83 130.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.49 165.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.993 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.04 120.36 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.94 151.55 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 p -129.46 138.45 54.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.6 154.73 80.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 175.54 11.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.89 103.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.1 p -125.55 108.95 12.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 p 47.02 -156.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.454 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.21 -156.67 23.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 5.7 p90 -65.9 177.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.95 147.32 24.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.31 151.25 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -103.12 117.09 33.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.8 mt -78.49 96.51 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.2 p -86.9 -40.85 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.32 119.7 38.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.525 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 27.5 p90 -148.57 139.83 23.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.23 127.42 8.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.465 ' CG ' HD12 ' A' ' 111' ' ' LEU . 22.5 p-90 -129.24 145.82 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -159.07 133.72 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.455 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -142.16 165.32 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -37.6 92.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.82 -50.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -150.76 170.52 19.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 39.7 t -123.51 135.71 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 7.9 ttpt -147.16 150.41 34.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.504 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.4 mp -127.94 151.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.612 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -132.01 104.27 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.51 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -101.04 147.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 m -92.8 105.6 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -137.65 100.76 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.431 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -76.36 119.24 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.75 -22.94 18.34 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.423 ' N ' HD11 ' A' ' 65' ' ' LEU . 8.8 p -57.0 -18.71 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -89.33 1.86 55.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.21 -20.39 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 22.6 m -80.41 154.43 74.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.422 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.05 177.07 9.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 t -81.3 -7.27 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -84.24 -21.49 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.422 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 60.4 m-20 -88.83 -17.74 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.464 HG13 ' CE ' ' A' ' 88' ' ' LYS . 28.4 t -107.77 108.08 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -120.07 110.93 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -127.14 135.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 2.0 t-160 -123.88 131.09 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 56.3 m-85 -101.08 144.3 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 57' ' ' SER . 1.2 p -126.95 -166.45 1.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.432 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 3.0 pt-20 -74.69 -41.46 60.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.497 ' O ' ' OG ' ' A' ' 57' ' ' SER . 2.8 mmm180 -141.17 51.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.499 ' CA ' HD12 ' A' ' 77' ' ' LEU . 25.1 m 179.67 172.37 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.681 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.47 127.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 2.3 p-10 -107.18 151.43 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -147.0 116.51 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -107.48 151.08 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.44 ' N ' HD12 ' A' ' 61' ' ' LEU . 90.6 t -146.84 112.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -111.86 166.03 11.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 0.7 OUTLIER 39.98 90.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.493 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.64 -134.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.41 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.2 t-20 -71.66 70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.8 21.89 67.81 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.517 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.28 -178.56 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.3 p -125.04 151.68 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.517 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 29.4 m-85 -129.94 148.51 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 p -134.37 140.3 46.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.525 ' HE1' ' CG ' ' A' ' 23' ' ' TYR . 1.8 ttm -147.09 125.5 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.2 mt -138.29 142.25 35.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.681 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.81 123.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.0 m-80 -127.12 138.11 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.5 m-20 84.44 65.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.499 HD12 ' CA ' ' A' ' 57' ' ' SER . 33.2 mt -79.86 134.19 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.419 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 13.9 tp -42.8 -48.64 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 6.3 mmtt -124.2 159.81 55.31 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.06 160.68 39.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.509 ' CG2' ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -142.64 142.07 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 133.14 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 42.7 t -77.28 -68.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -48.12 -27.94 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.57 -31.32 16.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.0 m -59.35 157.81 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.2 m -157.01 157.54 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.464 ' CE ' HG13 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -122.45 144.63 48.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.4 mtmm -136.14 165.13 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.83 130.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.465 ' CD ' HG21 ' A' ' 94' ' ' THR . 0.0 OUTLIER -113.24 -173.81 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.7 m -65.93 109.76 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.431 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 98.7 m-20 55.46 32.77 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.465 HG21 ' CD ' ' A' ' 91' ' ' LYS . 20.0 m -154.63 144.97 22.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.404 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.5 p -113.92 122.93 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.54 HD22 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -93.57 145.86 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.469 ' CD1' HD11 ' A' ' 60' ' ' LEU . 13.5 mm -134.58 91.51 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.477 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.6 mt -78.31 121.65 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -120.69 113.9 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.509 ' O ' ' CG2' ' A' ' 81' ' ' ILE . 2.2 mmp_? -58.87 149.01 28.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 4.6 mttt -100.45 106.54 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -42.53 -29.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.421 ' N ' ' C ' ' A' ' 101' ' ' LYS . 0.4 OUTLIER -151.3 114.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -63.42 176.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 57.8 49.94 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.449 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.3 m -140.56 106.62 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.16 144.9 51.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.563 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.2 m0 -111.1 99.14 8.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 27.5 m-20 -68.51 -15.96 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.503 ' CD2' ' HB2' ' A' ' 116' ' ' LYS . 65.3 m-85 -160.08 152.03 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.465 HD12 ' CG ' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -64.65 -46.77 81.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 p -129.23 154.15 47.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -54.83 -38.62 67.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 p -42.82 -61.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.8 -59.7 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 59.7 tttp -41.31 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -38.99 -65.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.24 -64.82 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -41.22 -63.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -48.18 -64.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.44 144.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.52 145.09 56.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.8 -160.87 32.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 116.34 4.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.51 124.69 20.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.6 t -88.67 135.59 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -151.15 129.21 11.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -113.37 123.41 50.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.0 -64.6 0.3 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.59 103.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.956 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.67 117.14 22.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.54 69.09 3.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.8 m -131.06 106.85 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.57 146.19 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.8 100.54 27.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.07 11.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.064 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.95 159.49 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.436 ' C ' ' CG2' ' A' ' 14' ' ' THR . 73.7 p -123.29 92.56 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.436 ' CG2' ' C ' ' A' ' 13' ' ' THR . 0.2 OUTLIER 38.1 89.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.58 108.85 0.61 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -168.85 171.35 8.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 0.713 . . . . 0.0 111.021 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.45 145.93 49.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 71' ' ' SER . 35.4 t -77.3 155.23 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -105.49 110.56 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mt -69.12 101.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.67 -58.28 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -87.3 119.63 27.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.555 ' CD2' ' HE2' ' A' ' 72' ' ' MET . 24.7 p90 -148.15 135.53 20.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.93 133.33 11.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.596 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 41.0 p-90 -135.28 150.11 49.95 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -148.54 140.75 24.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.596 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.4 pm0 -122.79 147.47 46.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -137.01 147.65 46.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.2 m-20 -63.96 77.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.619 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 164.83 -46.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.619 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.8 m-85 -155.48 169.29 24.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' CG2' ' HE2' ' A' ' 101' ' ' LYS . 54.0 t -125.11 141.86 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 14.6 ttpt -146.33 149.9 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.436 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.2 mp -122.3 144.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.596 ' CD2' HD21 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -128.68 104.53 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.6 mp -101.54 143.16 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 m -88.88 104.82 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -138.12 102.57 4.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.416 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -78.16 118.89 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.53 -22.06 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.45 ' N ' HD11 ' A' ' 65' ' ' LEU . 11.4 p -56.55 -20.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.96 4.65 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -113.54 -15.62 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 33.2 m -80.82 155.65 73.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.94 169.75 21.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -76.82 -3.79 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -88.43 -19.94 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.462 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 76.7 m-20 -92.85 -22.33 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.416 HG13 ' NZ ' ' A' ' 88' ' ' LYS . 14.1 t -98.42 91.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -110.78 112.53 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.415 ' CG1' ' HE3' ' A' ' 88' ' ' LYS . 0.2 OUTLIER -130.77 134.46 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -122.06 135.76 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CZ ' ' C ' ' A' ' 87' ' ' SER . 33.8 m-85 -104.44 144.61 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 57' ' ' SER . 41.7 p -128.96 -163.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.7 pt-20 -80.19 -38.83 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 78' ' ' LEU . 6.6 mmm180 -142.32 61.2 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.514 ' CA ' HD13 ' A' ' 77' ' ' LEU . 4.9 p 164.78 169.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.046 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.661 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.29 127.7 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.545 ' CB ' HG12 ' A' ' 73' ' ' ILE . 0.9 OUTLIER -103.96 147.96 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.495 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -146.45 115.59 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -108.98 148.65 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 68.9 t -147.12 101.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -101.15 164.29 11.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.472 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 1.0 OUTLIER 39.87 90.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.489 HD22 ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -121.94 -114.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.42 ' OD1' ' OH ' ' A' ' 70' ' ' TYR . 9.8 p30 -95.99 78.82 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.61 16.13 60.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -165.69 -169.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.5 m -131.75 152.76 50.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.553 ' CD2' HD23 ' A' ' 38' ' ' LEU . 13.5 m-85 -130.16 144.29 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 78.3 p -133.14 142.86 48.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.555 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 1.2 ttt -148.83 120.41 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.545 HG12 ' CB ' ' A' ' 59' ' ' ASP . 12.3 mt -133.31 145.09 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.661 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.73 119.01 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 32.5 m120 -115.88 126.98 54.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.9 m-20 82.84 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.514 HD13 ' CA ' ' A' ' 57' ' ' SER . 82.5 mt -103.3 133.97 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.461 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 5.2 tp -37.15 -46.31 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.9 mmtt -127.52 160.89 58.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.414 ' HD2' ' HB3' ' A' ' 79' ' ' LYS . 18.3 Cg_endo -74.95 164.63 33.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.412 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -144.34 142.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.04 128.2 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 86' ' ' SER . 38.9 t -71.88 -68.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -45.09 -26.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.29 -31.24 9.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.7 m -59.32 169.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.486 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -168.37 158.71 9.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.491 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -120.09 141.62 49.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.5 mtmt -140.22 160.13 40.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.5 t -134.81 132.35 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -108.3 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -68.81 110.1 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 66.9 m-20 59.74 32.39 21.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.486 HG21 ' CD ' ' A' ' 91' ' ' LYS . 15.8 m -159.83 139.91 11.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.446 HG23 ' CD1' ' A' ' 60' ' ' LEU . 7.7 p -105.06 130.87 55.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.596 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.6 mt -101.57 149.15 24.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.467 ' CD1' HD12 ' A' ' 60' ' ' LEU . 16.1 mm -138.61 90.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 4.7 mt -77.58 120.52 22.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 3.7 m -119.67 107.36 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mmp_? -57.59 148.08 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.449 ' HE2' ' CG2' ' A' ' 32' ' ' VAL . 6.0 mttt -96.16 137.66 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -77.85 -25.79 48.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.83 118.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.41 ' OE2' ' O ' ' A' ' 30' ' ' LYS . 1.6 mm-40 -60.52 -173.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' GLU . 93.8 m-20 39.63 60.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.445 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.3 m -137.36 137.29 38.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.73 143.08 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.4 m0 -113.64 93.97 4.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 11.6 m-20 -58.89 -20.15 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 115' ' ' GLU . 90.6 m-85 -157.99 139.78 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.546 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.0 OUTLIER -44.64 -46.21 10.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 40.0 p -117.22 166.01 12.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -76.88 -16.73 59.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 115' ' ' GLU . 91.1 t -65.19 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -37.49 -49.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.02 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -41.2 -65.28 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.3 t -42.39 -65.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.512 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 10.9 mmmt -44.85 -62.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.79 86.07 6.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.52 -63.92 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 t -74.76 -64.27 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.34 170.84 37.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.098 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.56 41.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.05 109.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.5 t -98.09 141.15 31.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.25 86.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.76 169.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.03 163.31 33.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.35 161.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -156.79 169.13 25.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.59 139.52 6.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.16 151.84 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t -82.97 153.54 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.76 102.67 48.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -177.8 3.72 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt -67.57 107.77 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 p -125.42 111.6 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.8 p 48.47 -152.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.12 132.33 3.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -54.99 175.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.406 ' CG2' ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -127.11 147.28 50.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 71' ' ' SER . 39.8 t -77.78 153.98 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.21 111.55 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.0 mt -68.78 92.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -60.12 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.16 119.84 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CG ' ' CE ' ' A' ' 72' ' ' MET . 31.0 p90 -149.4 130.55 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.95 134.4 13.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.2 p-90 -138.87 149.31 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -145.86 146.35 31.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.1 pm0 -122.11 149.71 43.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 96.8 m-20 -65.08 76.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 29' ' ' ASP . 4.7 mtmt 165.78 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 59.1 m-85 -155.73 143.97 20.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.84 145.35 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -147.21 145.87 29.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.5 mp -119.7 153.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -136.49 110.42 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.499 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 3.0 mp -109.0 150.89 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -94.98 106.28 18.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD22 ' CG ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -138.93 104.71 5.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.98 119.46 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 111.9 -23.61 16.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.8 p -56.24 -24.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -86.14 3.28 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -113.75 -30.19 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 31.6 m -72.88 153.72 91.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -74.96 174.26 13.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -76.42 -6.43 51.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.452 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.5 pt-20 -80.83 -32.69 35.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.426 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 26.6 m-20 -81.5 -18.81 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.01 106.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -119.96 114.52 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.49 137.6 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.412 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 13.7 t-160 -126.57 133.36 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.594 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -101.33 144.42 30.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.477 ' CA ' HG23 ' A' ' 83' ' ' VAL . 65.1 p -126.98 -163.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.3 pt-20 -79.18 -40.58 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.487 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.78 52.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.453 ' N ' HD11 ' A' ' 77' ' ' LEU . 1.3 p 177.19 172.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.646 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -170.02 127.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 1.4 p-10 -105.45 149.0 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -146.77 116.83 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.53 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -109.68 149.68 29.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.459 ' CG1' HD23 ' A' ' 65' ' ' LEU . 69.7 t -146.83 103.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 167.07 10.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.48 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 5.6 t-20 39.87 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.517 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.75 -129.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.4 t-20 -76.47 72.47 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.27 21.2 63.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.22 -169.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.406 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 58.0 m -133.1 153.08 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.536 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 44.6 m-85 -133.05 149.83 52.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 58.4 p -137.54 142.44 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.563 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 1.3 ttt -148.28 122.68 9.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.32 144.67 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.614 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.71 123.93 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 7.1 m-80 -119.65 127.7 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.2 m-20 83.29 92.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.453 HD11 ' N ' ' A' ' 57' ' ' SER . 40.5 mt -101.11 134.05 44.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.4 tp -38.5 -49.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 16.9 mmtt -125.29 159.19 61.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.487 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.4 Cg_endo -75.01 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.401 ' CA ' ' O ' ' A' ' 100' ' ' ARG . 1.6 pp -152.91 146.95 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -70.55 131.5 44.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG23 ' CA ' ' A' ' 54' ' ' THR . 37.6 t -73.72 -69.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.69 -14.16 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.64 -16.14 46.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.404 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 2.0 m -83.67 165.35 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -158.25 160.79 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -116.84 143.39 45.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.2 mtmt -134.85 161.26 35.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -134.98 135.78 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' CE ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.86 174.81 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -54.25 119.36 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 44.95 34.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.411 HG21 ' CD ' ' A' ' 91' ' ' LYS . 27.1 m -156.46 145.43 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.458 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.4 p -114.88 126.24 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.51 HD23 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -95.88 147.89 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.452 ' CD1' HD13 ' A' ' 60' ' ' LEU . 17.0 mm -140.66 91.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.9 mt -77.01 132.32 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 83.8 m -118.25 106.65 13.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -58.36 104.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.601 ' NZ ' ' HE1' ' A' ' 108' ' ' TRP . 1.6 mttt -60.17 133.93 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -70.95 -36.79 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.82 121.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.86 173.64 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 61.44 49.57 5.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.472 ' CG2' ' NZ ' ' A' ' 101' ' ' LYS . 1.1 m -140.85 127.76 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -86.54 153.72 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.601 ' HE1' ' NZ ' ' A' ' 101' ' ' LYS . 9.4 m0 -122.32 90.96 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 2.2 m-20 -54.93 -21.38 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.52 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 88.6 m-85 -162.11 155.59 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -60.46 -40.47 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 12.1 p -129.45 171.26 12.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -78.33 -19.48 53.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 118' ' ' CYS . 27.1 t -64.86 -61.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 11.7 tt0 -43.46 -32.84 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 58.5 tttt -71.31 -49.92 37.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -71.06 -18.56 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -85.77 -65.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.333 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -46.5 -62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -130.58 -151.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.23 94.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.3 p -132.29 -57.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.88 155.68 7.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 61.21 5.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 t -72.1 75.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.8 m -85.21 110.19 18.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 76.46 -68.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p 63.38 166.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.81 129.43 4.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.67 167.43 28.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 0.799 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -137.45 154.3 49.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.51 132.71 1.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -130.75 115.0 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -84.36 140.28 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.39 99.93 17.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.44 38.61 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 pp -64.75 138.8 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -124.97 112.66 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.9 p 49.33 -153.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.363 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.72 112.71 0.39 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -174.89 162.1 3.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.41 146.98 27.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.7 t -76.7 155.16 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -106.65 115.75 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 31.9 mt -74.37 95.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.0 m -79.69 -59.29 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -86.95 121.32 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.504 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 34.9 p90 -148.75 130.05 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.03 128.21 8.35 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.574 ' CE3' HD23 ' A' ' 111' ' ' LEU . 49.9 p-90 -131.26 167.37 19.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -155.76 175.69 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.492 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 18.3 pm0 -156.15 144.77 20.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 147.87 40.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.7 m-20 -63.35 77.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mttt 165.19 -51.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.683 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 52.5 m-85 -156.06 157.32 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -112.1 148.38 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 13.5 ttpt -146.81 151.1 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.494 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.0 mp -124.28 149.0 28.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.609 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -132.59 110.02 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.495 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -109.04 150.38 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -94.08 108.71 20.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.564 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -142.0 102.46 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.96 117.18 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' CA ' HD12 ' A' ' 65' ' ' LEU . . . 114.76 -23.72 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.401 ' N ' HD12 ' A' ' 65' ' ' LEU . 7.1 p -56.46 -23.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -86.96 -0.7 57.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.64 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.84 -31.14 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 25.8 m -71.93 154.07 92.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -76.64 -7.56 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.43 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -81.09 -32.56 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.43 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 56.1 m-20 -80.67 -13.04 59.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.447 HG12 ' CE ' ' A' ' 88' ' ' LYS . 15.8 t -110.21 104.75 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -115.82 115.6 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -133.6 139.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.3 t-160 -127.64 132.88 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.81 144.22 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.7 p -126.83 -164.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.1 pt-20 -80.08 -36.04 36.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.456 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 21.5 mmm-85 -144.43 57.65 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.476 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.9 p 168.24 173.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.643 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.44 127.58 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 1.5 p-10 -104.31 147.71 27.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.492 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -145.81 116.76 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -109.81 150.08 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.424 ' N ' HD13 ' A' ' 61' ' ' LEU . 70.3 t -143.47 112.14 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 64' ' ' ASN . 1.4 mttt -109.46 162.78 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.476 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 19.0 t30 40.95 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.564 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.71 -129.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -74.45 72.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.18 61.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.563 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.46 -170.31 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.2 m -130.13 153.1 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 68' ' ' LYS . 22.9 m-85 -131.88 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 77.2 p -131.59 144.13 50.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.497 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.6 OUTLIER -151.28 118.52 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -135.6 142.91 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.643 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.61 119.28 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.9 m-20 -116.84 132.67 56.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.9 OUTLIER 79.58 90.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.476 HD12 ' N ' ' A' ' 57' ' ' SER . 43.5 mt -99.38 132.95 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 113' ' ' GLN . 6.2 tp -37.81 -47.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.479 ' HD2' ' CG2' ' A' ' 106' ' ' THR . 19.4 mmtt -126.85 160.86 56.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.456 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.97 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.438 ' CG2' ' O ' ' A' ' 80' ' ' PRO . 1.3 pp -155.35 151.26 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -79.42 127.54 32.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.403 HG21 ' CA ' ' A' ' 54' ' ' THR . 37.4 t -70.02 -69.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.6 -15.36 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.453 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.83 -16.06 46.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.409 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 4.5 m -83.2 167.55 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -160.03 157.68 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.447 ' CE ' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -116.5 144.29 44.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.3 mtmt -137.76 162.65 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.6 t -134.57 136.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.88 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 60.2 m -50.83 118.02 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.3 p30 45.02 37.11 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.475 HG23 ' CD ' ' A' ' 91' ' ' LYS . 49.6 m -157.55 145.06 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.461 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.4 p -114.05 125.3 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.565 HD23 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -96.25 146.95 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 60' ' ' LEU . 15.8 mm -139.91 90.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD21 ' CE ' ' A' ' 33' ' ' LYS . 2.0 mt -75.81 132.62 40.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 80.9 m -118.43 111.78 19.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.683 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -64.46 102.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.414 ' HE3' ' NE1' ' A' ' 108' ' ' TRP . 1.0 OUTLIER -54.39 134.37 45.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' HD3' ' CG ' ' A' ' 80' ' ' PRO . 4.3 ttpt -76.29 -32.48 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -139.95 130.58 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.06 170.18 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 55.44 47.17 21.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.479 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 5.6 m -129.95 123.01 29.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.5 150.49 23.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -118.77 100.19 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.4 -19.81 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 115' ' ' GLU . 67.0 m-85 -150.16 149.83 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.574 HD23 ' CE3' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -58.35 -37.6 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 15.7 p -126.22 159.01 34.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 78' ' ' LEU . 12.6 tt0 -67.54 -37.64 83.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 118' ' ' CYS . 2.7 p -43.34 -60.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.515 ' HB3' ' CG ' ' A' ' 110' ' ' TYR . 0.2 OUTLIER -38.18 -42.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -62.45 -58.08 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.31 -13.03 47.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' VAL . 6.4 m -88.41 -57.95 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -46.25 89.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.6 87.06 5.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -175.27 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.3 t 51.88 78.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.41 97.74 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 77.39 3.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 m 64.33 77.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.4 p -109.45 138.73 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.76 150.07 38.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -150.2 139.96 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.09 -129.41 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t 67.48 126.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.82 165.62 27.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.67 -152.46 7.17 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.438 1.087 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.26 145.12 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.12 152.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.72 140.7 34.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.06 2.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.81 159.02 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' THR . 71.6 p -123.15 132.43 54.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.085 . . . . 0.0 110.39 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -35.28 146.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.93 111.95 0.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -177.59 178.2 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -138.17 146.49 42.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 19' ' ' LYS . 47.1 t -77.09 146.0 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' N ' HG12 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -98.63 123.3 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 29.0 mt -80.99 95.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -80.03 -61.28 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -85.41 120.14 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.546 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 36.5 p90 -148.46 131.7 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.11 135.39 14.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.6 p-90 -138.6 139.84 38.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.59 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -136.83 142.27 42.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.465 ' OE1' ' N ' ' A' ' 27' ' ' GLN . 10.0 pm0 -121.4 150.08 42.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -139.59 146.87 40.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.0 m-20 -65.19 74.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 7.5 mtpt 166.09 -48.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 57.1 m-85 -156.46 148.53 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.1 t -105.81 145.94 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 14.5 ttpt -147.18 147.34 30.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.481 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.3 mp -119.76 147.5 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.8 OUTLIER -130.22 107.8 9.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.517 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.6 mp -105.98 146.42 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -90.05 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -139.34 101.26 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.421 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -77.8 115.28 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' CA ' HD13 ' A' ' 65' ' ' LEU . . . 116.56 -23.12 10.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -57.27 -20.19 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.82 3.39 53.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -114.64 -17.0 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 23.5 m -87.31 152.33 52.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.08 169.82 21.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -73.81 -3.54 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -85.17 -24.35 27.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 84.0 m-20 -89.13 -16.56 31.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 13.4 t -105.2 101.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -110.53 110.08 20.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -129.22 139.33 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 15.8 t-160 -130.04 130.57 45.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.653 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.27 145.72 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.481 ' CA ' HG23 ' A' ' 83' ' ' VAL . 22.9 p -128.07 -170.3 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.467 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -76.3 -34.71 59.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.494 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -144.77 59.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.478 ' CA ' HD12 ' A' ' 77' ' ' LEU . 2.9 p 165.12 176.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.661 ' CE2' ' CG1' ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.39 127.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.424 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 1.6 p-10 -104.28 145.84 29.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -143.05 115.33 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' N ' HD13 ' A' ' 61' ' ' LEU . 71.4 t -142.12 112.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -109.7 165.03 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.472 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 8.5 t30 40.51 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -127.93 -130.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.43 71.49 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.5 20.85 68.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.86 -172.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.42 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 63.1 m -128.81 156.89 42.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.454 ' CD2' HD22 ' A' ' 38' ' ' LEU . 20.8 m-85 -132.84 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.2 p -135.42 143.49 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.533 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.7 OUTLIER -152.63 119.61 5.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.661 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.24 121.11 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 20.7 m-80 -115.76 127.35 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.8 m-20 83.54 98.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.478 HD12 ' CA ' ' A' ' 57' ' ' SER . 80.9 mt -107.49 134.09 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.1 tp -38.23 -48.3 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 19.8 mmtt -128.12 156.1 76.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.494 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.97 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.441 ' CA ' ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -149.88 147.88 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -70.58 112.7 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.481 HG23 ' CA ' ' A' ' 54' ' ' THR . 29.1 t -56.89 -69.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -56.62 -16.19 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' HB2' ' A' ' 100' ' ' ARG . . . -92.1 -18.33 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' SER . 18.0 m -74.99 168.92 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.25 158.42 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -114.58 141.17 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.1 mtmt -137.17 158.38 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -135.41 138.69 47.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' CD ' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -116.77 -166.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 50.4 m -74.97 107.69 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.421 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 93.6 m-20 59.53 29.1 18.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.468 HG22 ' CD ' ' A' ' 91' ' ' LYS . 9.0 m -152.54 139.93 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.462 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.2 p -105.13 129.26 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.544 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -99.48 146.21 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.413 ' CD1' HD12 ' A' ' 60' ' ' LEU . 17.8 mm -139.47 90.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.452 HD21 ' CE ' ' A' ' 33' ' ' LYS . 1.5 mt -76.5 134.27 39.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 92.6 m -119.46 105.35 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.292 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.63 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -57.8 104.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.422 ' CE ' ' NE1' ' A' ' 108' ' ' TRP . 0.2 OUTLIER -58.37 132.2 52.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.05 -39.35 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.68 118.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -63.89 168.48 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 62.46 53.3 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 m -139.13 127.74 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.17 148.27 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.8 m0 -117.24 102.84 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 84.0 m-20 -65.05 -18.61 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.531 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 58.0 m-85 -161.84 148.26 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.6 OUTLIER -52.0 -47.01 65.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 32.1 p -125.85 173.72 8.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.45 -30.05 62.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 56.1 t -49.75 -66.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.51 -49.99 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -50.63 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -38.85 -67.39 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.8 t -45.01 -61.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.459 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 4.2 mmpt? -41.14 -58.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -96.52 92.59 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -66.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.0 m -72.74 137.85 46.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 110.054 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -139.91 -145.68 4.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 105.87 2.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 m 63.8 106.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -98.04 93.5 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -134.17 116.05 14.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.74 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.03 -131.88 1.37 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -132.72 104.68 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.36 126.99 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.954 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.72 158.04 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -129.23 148.31 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.2 154.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.79 100.98 54.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.432 1.753 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.63 122.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -123.21 116.41 23.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 p 44.3 -152.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.89 145.03 11.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -64.17 -173.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.23 147.55 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.6 t -76.88 154.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.62 115.11 29.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.442 ' CG2' HG23 ' A' ' 36' ' ' ILE . 26.6 mt -72.93 90.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -75.44 -61.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.84 120.24 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.559 ' CG ' ' CE ' ' A' ' 72' ' ' MET . 27.9 p90 -149.3 131.99 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.47 136.19 15.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.513 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 30.2 p-90 -143.18 144.96 32.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -132.38 -170.4 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.417 ' OE1' ' HB2' ' A' ' 108' ' ' TRP . 3.7 pt20 -161.98 146.3 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -141.07 146.97 37.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 3.6 m-20 -63.37 77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 169.76 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.622 ' CE1' ' NH1' ' A' ' 100' ' ' ARG . 28.8 m-85 -156.55 166.46 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.7 t -109.46 143.87 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 9.7 ttpt -145.92 147.55 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.487 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.2 mp -125.02 151.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.602 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -131.77 115.08 15.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.524 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.8 mp -112.76 145.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.419 ' N ' HG22 ' A' ' 36' ' ' ILE . 6.0 m -92.95 104.82 17.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.522 ' CD1' ' CD2' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -137.09 99.43 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.424 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -73.58 117.19 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.443 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 115.22 -24.06 10.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.406 ' N ' HD11 ' A' ' 65' ' ' LEU . 8.2 p -58.12 -20.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -87.9 -11.64 47.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -99.14 -30.43 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 28.2 m -71.83 154.31 92.83 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.3 t -75.2 -3.62 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.17 -26.01 23.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.438 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 61.8 m-20 -83.82 -19.35 35.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG12 ' CE ' ' A' ' 88' ' ' LYS . 65.2 t -106.98 112.28 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -120.79 114.7 22.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -130.07 133.64 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.389 1.056 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.42 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.6 t-160 -122.45 138.03 54.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 49.3 m-85 -106.95 148.57 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.486 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 60.4 p -132.08 -164.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.5 pt-20 -78.62 -37.88 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . 21.3 mmm-85 -144.17 65.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.517 ' CA ' HD12 ' A' ' 77' ' ' LEU . 4.1 p 160.59 164.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.668 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -159.38 127.76 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 3.5 p-10 -106.31 143.15 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.505 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -140.44 116.64 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -108.32 151.14 26.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.469 ' CG1' HD21 ' A' ' 65' ' ' LEU . 72.9 t -146.77 107.64 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -104.97 162.72 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.478 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 3.0 t-20 40.95 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.522 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.52 -132.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.404 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.3 t-20 -71.89 71.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.71 62.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 ptpt -164.84 -175.8 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.8 m -124.25 151.8 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 52.6 m-85 -131.03 148.43 52.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 56.5 p -134.91 142.49 46.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.559 ' CE ' ' CG ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -150.79 121.09 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -137.9 144.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.667 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.61 121.48 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.3 m-80 -121.13 132.45 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.0 m-20 85.8 81.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.517 HD12 ' CA ' ' A' ' 57' ' ' SER . 96.5 mt -95.61 131.99 41.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.2 tp -37.56 -51.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.5 mmtt -122.34 161.66 42.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.451 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.03 168.45 24.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.502 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -147.06 140.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 127.8 33.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 38.6 t -74.79 -68.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -48.45 -23.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.62 -30.49 9.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.519 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 4.4 m -59.05 161.28 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -160.68 157.31 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.456 ' CE ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -118.02 133.6 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -122.65 156.76 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' A' ' 89' ' ' LYS . 91.2 t -133.78 125.77 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.93 -169.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.4 m -72.17 115.52 11.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.424 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 76.7 m-20 54.23 20.19 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 91' ' ' LYS . 18.0 m -145.68 146.16 31.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.39 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 6.7 p -116.95 127.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 89' ' ' LYS . 5.4 mt -96.43 145.95 25.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.413 ' CD1' HD11 ' A' ' 60' ' ' LEU . 24.5 mm -128.61 87.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.515 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.44 116.65 16.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 37.0 m -119.57 113.56 20.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.622 ' NH1' ' CE1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER -61.07 150.12 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.662 ' NZ ' ' HE1' ' A' ' 108' ' ' TRP . 2.1 mttm -103.01 130.71 50.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -69.9 -21.32 63.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.0 117.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -73.61 165.85 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 70.11 48.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.425 ' CG2' ' NZ ' ' A' ' 101' ' ' LYS . 1.2 m -139.88 145.37 37.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.01 135.78 53.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.662 ' HE1' ' NZ ' ' A' ' 101' ' ' LYS . 19.8 m0 -97.88 103.76 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 108.047 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 1.9 m-20 -62.97 -21.26 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.514 ' CD2' ' HB2' ' A' ' 116' ' ' LYS . 72.8 m-85 -157.12 128.74 7.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.513 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -38.63 -42.4 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 11.5 p -132.62 161.6 33.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -65.53 -38.16 88.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 p -41.33 -60.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 0.4 OUTLIER -47.04 -48.26 22.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.514 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -55.27 -72.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' LYS . 11.5 mm-40 -37.59 -61.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -53.23 -61.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.317 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -39.79 -53.93 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG3' ' CE ' ' A' ' 116' ' ' LYS . 2.2 mm-40 -97.99 -151.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt 65.78 154.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.46 88.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.61 -131.93 1.34 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.1 t -101.89 85.62 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.85 128.47 48.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.939 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.21 -58.32 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -139.46 126.07 20.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.03 152.36 5.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.583 1.177 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -179.2 154.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.942 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 m -128.11 -60.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.81 137.63 2.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 p -130.69 148.68 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.4 p -102.68 124.02 56.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.16 154.99 82.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.36 6.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.94 103.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.8 p -123.58 112.7 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.3 p 45.06 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.88 -65.97 0.5 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 1.1 p90 -130.83 151.85 50.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.401 ' CG2' ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -125.52 147.32 49.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.435 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 35.8 t -76.27 151.06 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -102.59 114.25 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 72' ' ' MET . 31.6 mt -73.3 84.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -44.42 45.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.17 119.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.473 ' CG ' ' HE3' ' A' ' 72' ' ' MET . 33.7 p90 -149.78 137.55 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.53 126.38 8.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.4 ' O ' ' OD1' ' A' ' 26' ' ' ASP . 19.8 p-90 -129.25 150.37 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -162.92 130.85 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.454 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.5 pp0? -143.61 164.31 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -140.78 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.87 83.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER 172.8 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CE1' ' HD3' ' A' ' 100' ' ' ARG . 63.9 m-85 -152.17 169.05 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.454 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 17.1 t -116.93 136.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -146.67 140.66 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.499 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 3.3 mp -119.25 148.48 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.597 ' CE1' ' OD2' ' A' ' 26' ' ' ASP . 0.9 OUTLIER -130.24 106.64 8.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.5 ' CD1' ' SD ' ' A' ' 72' ' ' MET . 2.7 mp -103.76 147.81 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -94.49 103.03 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD21 ' CD2' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -133.74 102.71 5.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.79 113.68 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 118.26 -22.34 9.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 15.0 p -55.65 -29.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -111.31 -25.66 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' CG1' ' O ' ' A' ' 64' ' ' ASN . 26.5 m -83.66 151.86 62.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -74.98 174.5 12.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.6 t -76.71 -3.62 38.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -23.3 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.42 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 94.3 m-20 -92.99 -11.26 33.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.472 HG13 ' CE ' ' A' ' 88' ' ' LYS . 4.3 t -109.27 111.1 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.2 tp60 -121.87 106.85 11.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.476 HG12 ' CB ' ' A' ' 88' ' ' LYS . 0.4 OUTLIER -124.81 133.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.426 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -125.11 128.87 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.522 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 15.7 m-85 -98.39 147.36 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.432 ' OG1' ' OG ' ' A' ' 57' ' ' SER . 11.4 p -129.52 -164.95 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -75.79 -41.0 54.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.477 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.6 54.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.446 ' CA ' HD11 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.9 173.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.625 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -171.74 127.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.426 ' OD2' ' HB3' ' A' ' 52' ' ' HIS . 2.3 p-10 -105.32 153.52 21.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 ' C ' ' CD2' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -146.83 114.24 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -100.27 148.48 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 65' ' ' LEU . 65.3 t -147.28 101.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -105.53 163.7 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.468 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 16.3 t-20 40.21 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 68' ' ' LYS . 0.2 OUTLIER -127.58 -126.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.82 73.82 5.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.22 20.03 62.49 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -167.19 -173.15 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.401 ' HB3' ' CG2' ' A' ' 17' ' ' THR . 70.4 m -125.67 155.73 40.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.534 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.2 m-85 -131.77 151.55 51.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 18.0 p -137.82 139.82 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' ' CD1' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -147.53 118.54 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.6 mt -135.75 145.71 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.59 ' CG1' ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.07 122.29 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.2 m-80 -119.51 129.4 54.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.1 m-20 83.22 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.446 HD11 ' CA ' ' A' ' 57' ' ' SER . 56.2 mt -98.65 132.11 44.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 77' ' ' LEU . 10.3 tp -38.54 -46.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 8.5 mmtt -128.77 160.21 64.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.477 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 165.73 30.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.522 ' CB ' ' O ' ' A' ' 100' ' ' ARG . 0.9 OUTLIER -140.64 143.02 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 99.02 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 53.8 t -41.85 -54.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' VAL . 36.9 mt-10 -39.07 -52.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 100' ' ' ARG . . . -75.28 -33.08 54.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.522 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 19.1 m -48.53 111.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.447 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -128.81 170.78 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.476 ' CB ' HG12 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -130.44 141.35 50.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 96' ' ' LEU . 7.4 mtmt -133.85 165.24 25.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.24 123.8 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -113.96 168.04 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 91.7 m -45.36 116.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' O ' ' OG1' ' A' ' 94' ' ' THR . 4.3 p30 45.46 39.47 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' LYS . 54.7 m -158.85 147.86 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.476 ' CG1' ' HB ' ' A' ' 36' ' ' ILE . 7.5 p -118.92 120.23 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.527 HD21 ' CD2' ' A' ' 35' ' ' TYR . 2.5 mt -93.14 142.44 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 11.5 mm -132.18 90.94 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.02 123.62 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 14.1 m -120.76 111.5 17.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.646 ' HD3' ' CE1' ' A' ' 31' ' ' PHE . 0.4 OUTLIER -57.49 146.62 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.36 127.52 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -66.86 -32.98 74.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.29 117.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.08 -179.94 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.28 39.98 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.4 m -133.5 100.53 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.84 151.52 47.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.577 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.8 m0 -117.2 97.65 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.0 m-20 -68.44 -11.48 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' CD2' ' HB2' ' A' ' 116' ' ' LYS . 77.3 m-85 -162.22 152.38 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.51 -35.12 78.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 9.9 p -138.39 154.59 48.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 114' ' ' VAL . 34.3 mt-30 -57.98 -42.62 85.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 113' ' ' GLN . 2.5 p -38.6 -61.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.6 -53.16 15.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 16.4 ttpt -51.26 -67.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -44.88 -35.99 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 56.5 m -70.44 -68.23 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -53.38 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -91.7 -168.95 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.92 136.33 55.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.7 m -100.18 138.91 36.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.44 105.77 0.98 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.31 73.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.0 t -77.57 115.1 17.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.3 t -75.74 149.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.14 116.89 33.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 72' ' ' MET . 30.7 mt -76.45 94.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.53 -57.49 3.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.02 119.91 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 33.7 p90 -149.31 130.94 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -80.57 138.26 19.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.58 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.7 p-90 -144.28 149.16 35.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -144.55 152.36 40.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.58 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -133.73 145.16 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 152.76 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 34.3 m-20 -64.25 78.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 170.53 -54.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 50.3 m-85 -156.02 169.85 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.38 141.62 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' CG ' HD22 ' A' ' 96' ' ' LEU . 17.5 ttpt -145.72 143.45 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.643 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -118.37 150.63 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.775 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -134.24 112.28 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -111.09 148.54 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -92.42 104.2 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.754 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.8 103.37 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.52 108.98 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 123.5 -21.9 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.4 p -59.15 -21.96 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -89.74 2.49 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -113.34 -27.56 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.628 HG11 ' O ' ' A' ' 64' ' ' ASN . 23.5 m -76.22 152.98 84.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -73.75 -3.81 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 3.9 pt-20 -85.09 -25.71 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 86.5 m-20 -89.03 -10.88 45.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.4 t -111.08 104.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -116.43 113.18 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.27 138.65 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.413 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 55.9 t60 -128.07 132.13 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.647 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.472 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 20.3 m-85 -100.43 147.82 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 57' ' ' SER . 10.1 p -129.53 -165.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 1.4 pt-20 -77.21 -39.5 48.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 10.9 mmm-85 -142.5 54.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.677 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.03 174.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.829 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.53 127.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.646 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.2 p-10 -105.94 145.57 31.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.618 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.91 115.83 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.8 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -108.59 149.49 28.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.8 ' H ' HD22 ' A' ' 61' ' ' LEU . 93.1 t -144.32 112.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.7 163.45 13.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.628 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.0 t-20 41.0 90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.4 -130.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.37 73.71 4.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 21.36 68.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.529 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -171.69 -179.65 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.59 ' HB3' HG23 ' A' ' 17' ' ' THR . 60.7 m -121.28 153.13 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 34.5 m-85 -128.42 151.16 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 60.1 p -136.74 143.77 43.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.628 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.5 ttm -151.11 119.37 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.47 144.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.829 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.87 120.7 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 67.3 m-80 -115.83 126.57 54.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.7 m-20 84.19 97.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 74' ' ' VAL . 65.6 mt -107.56 133.89 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 108' ' ' TRP . 10.3 tp -39.19 -50.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 20.2 mmtt -124.44 158.68 60.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.489 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.97 167.04 27.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -144.09 159.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -91.3 121.14 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG22 ' C ' ' A' ' 53' ' ' PHE . 55.3 t -67.08 -68.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.36 -40.65 2.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.2 -31.95 40.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.9 m -57.09 141.69 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -144.02 159.03 43.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.541 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -122.34 143.22 49.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -134.85 164.45 27.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.55 126.39 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 3.5 ptpt -111.09 176.78 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.2 m -55.23 119.04 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 44.79 33.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.4 m -154.86 144.92 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.618 HG21 HD11 ' A' ' 60' ' ' LEU . 7.1 p -113.42 130.37 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.775 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -103.83 145.09 30.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' ' 96' ' ' LEU . 15.0 mm -135.86 90.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' SER . 4.3 mt -76.32 120.87 22.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -119.96 112.61 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.8 mmp_? -57.37 148.06 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -95.3 115.76 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -58.88 -26.02 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -149.88 112.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -67.46 174.22 3.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 57.06 58.21 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.491 HG21 ' HD2' ' A' ' 79' ' ' LYS . 1.4 m -147.18 146.99 30.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.24 147.68 29.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.581 ' HA ' HD23 ' A' ' 78' ' ' LEU . 14.0 m0 -115.37 100.5 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.3 m-20 -66.79 -18.36 65.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 61.8 m-85 -162.58 133.65 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -41.89 -46.12 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.432 HG22 HD23 ' A' ' 77' ' ' LEU . 23.6 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' SER . 30.8 t -76.27 151.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 115.17 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.831 HD12 ' HB2' ' A' ' 72' ' ' MET . 19.3 mt -72.63 109.5 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -65.41 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.02 120.06 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.642 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 22.7 p90 -148.46 133.68 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.592 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -83.8 136.63 15.12 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.572 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 36.7 p-90 -143.87 144.42 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.82 168.93 18.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.572 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.2 pm0 -147.72 144.63 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.28 151.73 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -64.38 77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER 171.26 -54.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 51.3 m-85 -155.48 166.86 32.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.79 141.69 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.1 ttpt -145.95 148.89 33.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -122.19 149.69 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.762 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -133.39 104.04 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -101.35 147.26 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -92.58 103.75 16.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.813 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.34 99.4 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.75 111.82 10.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.37 -24.18 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 38' ' ' LEU . 12.0 p -57.06 -20.03 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -89.47 -4.13 58.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -103.19 -22.8 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.1 m -82.29 151.65 66.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -74.43 -3.87 33.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.4 -23.42 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 78.6 m-20 -93.63 -21.67 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.52 92.25 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.36 110.59 22.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.47 137.43 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.406 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 74.4 t60 -125.74 135.81 52.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 28.9 m-85 -103.95 144.75 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 57' ' ' SER . 25.1 p -127.83 -164.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -77.11 -41.71 40.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 3.5 mmm180 -141.3 54.78 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.68 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 175.6 172.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.39 127.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.1 p-10 -106.07 148.49 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.832 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.49 114.31 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.841 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.52 150.35 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.841 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.4 t -145.58 106.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -101.54 163.81 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.525 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.0 t-20 40.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.656 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -121.3 -122.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.42 76.96 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.27 19.06 68.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -169.71 -169.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.566 ' HB2' HG23 ' A' ' 17' ' ' THR . 32.2 p -133.23 152.2 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.581 ' CD2' HD21 ' A' ' 38' ' ' LEU . 7.0 m-85 -129.58 148.54 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' VAL . 28.0 p -134.82 140.06 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.831 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -144.88 120.42 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.31 145.02 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.03 123.11 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 35.0 m-80 -120.33 129.08 53.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.1 m-20 84.61 86.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' A' ' 74' ' ' VAL . 57.3 mt -97.76 132.46 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.626 HD22 ' H ' ' A' ' 110' ' ' TYR . 8.4 tp -39.9 -49.1 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.6 mmtt -123.66 159.02 57.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.96 167.26 27.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.691 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -150.43 141.22 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 142.18 50.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 ' C ' ' A' ' 53' ' ' PHE . 40.4 t -87.41 -68.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -49.06 -23.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.94 -29.51 11.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.5 m -62.95 162.02 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -155.74 160.18 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.23 141.04 51.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.5 mtmt -139.06 160.69 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 95' ' ' VAL . 88.3 t -134.58 128.09 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -108.15 177.13 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.1 m -59.32 118.28 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 49.03 32.96 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.8 m -157.6 142.56 16.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.832 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -109.97 129.4 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.2 mt -100.69 147.66 25.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 96' ' ' LEU . 13.7 mm -137.05 90.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 5.6 mt -77.01 120.14 21.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.1 113.75 20.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.691 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.7 mmp_? -58.56 148.56 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -100.02 117.94 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -58.01 -29.18 65.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.39 118.46 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.44 -179.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 49.77 56.97 7.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.531 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.7 m -140.75 146.69 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.24 155.85 18.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.8 m0 -124.61 97.94 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -67.7 -15.78 63.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.626 ' H ' HD22 ' A' ' 78' ' ' LEU . 69.7 m-85 -162.43 151.18 14.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -64.03 -36.15 83.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.507 HG23 HD13 ' A' ' 111' ' ' LEU . 19.3 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.591 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' SER . 25.7 t -76.46 151.11 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.95 118.04 35.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.799 HD12 ' HB2' ' A' ' 72' ' ' MET . 25.1 mt -77.88 96.66 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -80.81 -63.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.39 120.35 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 31.9 p90 -149.2 127.25 11.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -74.6 139.53 25.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 42.2 p-90 -148.01 144.15 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -139.05 174.81 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' OE1' ' N ' ' A' ' 27' ' ' GLN . 13.1 pm0 -152.63 144.67 23.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 74.9 m -140.17 154.68 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 43.9 m-20 -64.53 77.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 3.2 mtmt 170.22 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 49.3 m-85 -156.21 168.04 28.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.5 t -121.41 143.82 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 5.7 ptmt -145.78 158.02 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.835 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.7 mp -127.17 145.61 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -124.26 112.56 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.751 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -111.42 145.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 m -90.87 104.76 17.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.88 99.57 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -73.27 123.54 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 106.54 -22.51 30.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.6 p -56.33 -23.97 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.53 1.18 50.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.58 -37.53 4.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.4 m -65.16 153.12 90.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 169.8 21.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 -3.77 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -83.37 -24.95 31.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.43 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 15.9 m-20 -89.82 -21.14 22.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.06 97.96 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -112.27 113.8 26.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.06 137.21 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 59.3 t60 -125.41 136.82 53.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 31.0 m-85 -104.91 145.91 29.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.498 ' CA ' HG22 ' A' ' 83' ' ' VAL . 20.1 p -128.46 -164.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.7 pt-20 -77.52 -41.22 39.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' SER . 12.5 mmm-85 -141.57 55.21 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.736 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.1 p 175.01 173.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.831 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.7 127.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.546 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.0 p-10 -107.14 144.41 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.753 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -140.37 114.16 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.813 HD13 ' N ' ' A' ' 62' ' ' VAL . 1.5 tm? -105.62 149.41 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.813 ' N ' HD13 ' A' ' 61' ' ' LEU . 92.1 t -146.74 113.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.658 ' HE3' HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -113.31 159.33 19.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.668 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.9 OUTLIER 44.66 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -129.99 -135.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.419 ' N ' HD12 ' A' ' 65' ' ' LEU . 2.7 t30 -70.88 70.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.01 20.1 68.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -169.17 175.82 5.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.591 ' HB2' HG23 ' A' ' 17' ' ' THR . 23.6 p -118.05 154.83 31.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.636 ' CG ' HD21 ' A' ' 38' ' ' LEU . 29.8 m-85 -130.93 151.08 51.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' VAL . 66.6 p -134.89 143.67 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.799 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -152.2 120.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 mt -138.55 143.57 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.831 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.9 119.16 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 11.4 m120 -113.61 127.32 56.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.1 m-20 83.14 98.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.736 HD12 ' N ' ' A' ' 57' ' ' SER . 53.6 mt -105.83 133.7 50.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.595 HD22 ' H ' ' A' ' 110' ' ' TYR . 11.7 tp -40.25 -48.77 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 13.5 mmtt -122.94 159.05 55.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.442 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.54 28.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -149.43 143.55 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 134.44 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.498 HG22 ' CA ' ' A' ' 54' ' ' THR . 49.9 t -80.22 -68.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.05 -20.33 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.91 -31.3 8.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.2 m -62.24 155.24 25.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.433 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -148.79 162.35 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.489 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.07 134.29 54.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mtmm -130.03 161.35 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.4 t -135.02 133.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.32 -172.85 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -67.09 107.87 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 58.78 26.52 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 m -147.32 148.76 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 60' ' ' LEU . 6.2 p -117.35 121.15 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -95.92 132.54 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.519 HD11 ' CD1' ' A' ' 60' ' ' LEU . 15.9 mm -117.95 90.39 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 33' ' ' LYS . 29.4 mt -73.42 121.77 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.1 m -120.35 113.95 21.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.6 mmp_? -59.65 148.19 34.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -99.94 123.77 44.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -70.41 -26.66 63.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.4 t -140.88 127.66 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -74.0 177.2 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 42.34 56.23 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.527 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.6 m -132.24 132.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.83 146.49 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.531 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.5 m0 -112.82 103.75 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 107.987 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 3.1 m-20 -65.02 -21.72 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.595 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -160.71 147.6 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.9 OUTLIER -50.25 -45.34 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.49 HG23 HD13 ' A' ' 111' ' ' LEU . 36.9 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.536 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.508 HG21 ' HE2' ' A' ' 68' ' ' LYS . 39.9 t -76.72 154.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -106.26 118.94 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.841 HD12 ' HB2' ' A' ' 72' ' ' MET . 33.2 mt -76.38 108.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 69.7 m -90.8 -62.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.85 119.83 24.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 29.0 p90 -149.47 128.14 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.6 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -78.46 140.49 23.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.594 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.3 p-90 -144.43 148.33 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -144.83 146.44 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.594 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -128.64 144.59 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 m -140.37 152.15 45.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 77.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 171.28 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 52.6 m-85 -155.74 166.14 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.21 142.0 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 18.8 ttpt -145.78 149.85 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.629 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -124.11 148.43 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.76 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -133.42 106.37 7.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 94' ' ' THR . 2.9 mp -103.9 147.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -93.31 104.82 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.436 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD12 HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -136.87 102.19 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.83 108.25 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.03 -25.49 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.8 p -56.99 -20.36 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -89.73 1.79 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -108.79 -19.69 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 64' ' ' ASN . 24.4 m -85.97 152.05 55.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.36 20.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -74.16 -3.75 31.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.7 pt-20 -83.68 -24.72 31.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 70.1 m-20 -89.66 -25.21 21.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 46.3 t -96.05 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -115.96 111.37 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.31 131.15 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.8 t-160 -120.59 132.68 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.4 m-85 -101.01 147.13 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 57' ' ' SER . 24.8 p -129.84 -164.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.1 pt-20 -77.02 -42.36 38.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 13.2 mmm-85 -140.39 54.98 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.764 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 176.03 170.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.84 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -167.62 127.41 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.1 p-10 -107.2 148.9 28.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.821 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.11 114.71 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.84 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -109.52 150.66 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.84 ' H ' HD22 ' A' ' 61' ' ' LEU . 62.5 t -145.15 104.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.63 162.23 13.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.544 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.1 t-20 39.06 89.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.725 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -118.4 -115.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -98.3 79.29 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.92 15.31 64.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -168.64 -169.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.536 ' CB ' HG23 ' A' ' 17' ' ' THR . 50.0 m -131.22 153.63 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.531 ' CD2' HD21 ' A' ' 38' ' ' LEU . 9.3 m-85 -129.17 149.66 50.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.9 p -136.07 142.68 44.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.841 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -148.96 118.19 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -133.75 145.17 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.84 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.7 122.9 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 27.0 m120 -119.75 133.22 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.6 m-20 81.65 83.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 57' ' ' SER . 61.3 mt -92.6 129.41 38.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.637 HD22 ' H ' ' A' ' 110' ' ' TYR . 5.0 tp -37.75 -46.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.7 mmtt -127.41 160.21 61.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.14 31.9 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.32 145.82 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -78.26 130.89 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.986 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' SER . 49.2 t -78.33 -68.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.52 -25.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.48 -30.5 9.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.6 m -62.13 150.32 38.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -144.7 162.6 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.16 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -139.33 159.41 42.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.495 HG22 HG23 ' A' ' 95' ' ' VAL . 47.5 t -134.74 126.37 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -107.34 177.55 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.5 m -58.31 121.94 12.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 44.9 29.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 36' ' ' ILE . 23.4 m -153.07 142.04 21.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 60' ' ' LEU . 6.4 p -110.96 130.21 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.76 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -101.92 147.56 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' A' ' 60' ' ' LEU . 14.7 mm -136.49 89.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.474 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.92 118.67 18.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 14.9 m -120.12 112.04 18.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.679 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.1 mmp_? -57.73 148.79 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' CE ' ' NE1' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -99.9 121.91 42.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -67.66 -26.42 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -140.74 124.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.14 178.33 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 40.39 58.23 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.492 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.3 m -135.49 126.48 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 151.54 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.0 m0 -120.74 98.04 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 61.2 m-20 -63.94 -19.09 64.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.637 ' H ' HD22 ' A' ' 78' ' ' LEU . 88.9 m-85 -158.54 138.55 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.557 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -49.18 -36.18 18.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.516 HG21 ' HE2' ' A' ' 68' ' ' LYS . 50.5 t -77.11 155.08 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.04 125.1 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.887 HD12 ' HB2' ' A' ' 72' ' ' MET . 32.0 mt -82.88 95.16 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -79.67 -59.89 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.13 119.99 26.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 29.0 p90 -149.43 130.9 14.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.32 138.75 18.9 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.563 1.165 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 40.6 p-90 -144.72 147.38 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -144.96 147.63 32.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.578 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 19.7 pm0 -124.88 147.78 48.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.14 151.21 45.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.8 m-20 -63.89 79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 8.9 mttt 168.9 -54.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.3 m-85 -155.71 168.09 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -114.31 140.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.607 ' CG ' HD22 ' A' ' 96' ' ' LEU . 12.1 ttpt -144.82 145.61 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.615 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.6 mp -119.82 151.57 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.785 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -135.33 109.12 8.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.757 ' O ' HG23 ' A' ' 94' ' ' THR . 3.2 mp -108.2 153.32 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -96.93 104.38 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.726 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -136.6 100.43 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -72.67 123.39 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 107.44 -22.8 28.08 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -58.15 -18.09 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -92.38 -5.02 52.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -107.31 -26.12 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.7 m -72.23 155.29 91.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.23 23.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.33 -4.61 40.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -86.57 -26.87 24.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 76.3 m-20 -86.11 -15.21 41.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -109.29 97.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.91 113.81 26.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.0 135.64 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.425 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 67.5 t60 -123.99 134.56 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 51.7 m-85 -103.86 147.43 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.459 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 34.3 p -129.22 -164.84 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 3.6 pt-20 -78.21 -39.79 39.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.73 60.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.614 ' N ' HD12 ' A' ' 77' ' ' LEU . 4.0 p 166.21 172.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.787 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -167.21 127.97 1.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 5.0 p-10 -106.71 139.58 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.747 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -136.04 113.61 10.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.865 HD22 ' H ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -103.9 149.22 25.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.865 ' H ' HD22 ' A' ' 61' ' ' LEU . 94.0 t -147.15 112.39 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -110.78 167.08 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.501 ' O ' HG11 ' A' ' 44' ' ' VAL . 1.7 t-20 38.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.539 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -125.95 -130.68 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.46 72.44 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.87 19.97 66.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -166.94 -176.18 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.6 ' HB3' HG23 ' A' ' 17' ' ' THR . 50.7 m -125.88 151.49 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.953 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.676 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.4 m-85 -130.6 147.95 52.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.5 p -133.44 141.57 47.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.887 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.1 ttt -148.35 118.99 7.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.9 mt -136.19 144.86 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.787 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.05 121.65 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 34.0 m-20 -117.21 129.12 55.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.4 m-20 82.24 93.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.768 HD21 ' CG2' ' A' ' 74' ' ' VAL . 39.7 mt -104.46 134.99 46.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.519 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.3 tp -38.89 -47.88 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 15.8 mmtt -124.91 158.62 62.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.478 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.32 29.41 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.794 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.93 138.95 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 131.44 44.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 45.8 t -76.64 -67.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.44 -22.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.77 -31.01 8.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.523 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.8 m -60.26 158.08 12.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.465 ' O ' ' CZ ' ' A' ' 53' ' ' PHE . 1.1 m -153.23 162.48 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -125.48 137.72 53.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -134.46 162.47 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 95' ' ' VAL . 31.2 t -135.04 136.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.33 -178.36 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -59.35 118.77 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.5 p30 45.03 32.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 36' ' ' ILE . 29.1 m -153.28 144.69 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 60' ' ' LEU . 6.9 p -113.91 128.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.785 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -99.3 145.23 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 60' ' ' LEU . 21.7 mm -133.67 90.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.422 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.0 mt -77.11 119.34 20.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.7 m -119.0 110.44 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 108.331 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.696 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.8 mmp_? -58.57 148.49 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -98.56 135.25 40.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -73.8 -24.47 59.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.98 118.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.45 175.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 53.55 54.63 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.525 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.8 m -138.07 129.67 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.43 155.11 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.357 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.0 m0 -123.84 96.94 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 33.2 m-20 -64.14 -19.19 65.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 89.1 m-85 -162.79 141.96 8.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.494 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -50.21 -42.11 50.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -77.16 155.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.47 123.25 47.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.873 HD12 ' HB2' ' A' ' 72' ' ' MET . 28.9 mt -82.57 82.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.8 t -74.84 -37.1 62.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -104.38 120.2 40.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 38.2 p90 -149.5 138.05 20.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.15 128.47 9.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 27.6 p-90 -129.35 148.81 51.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -161.41 132.65 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 3.9 pp0? -140.93 167.79 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -140.0 172.09 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.91 77.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.1 mtmp? 176.66 -55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.5 m-85 -151.15 170.97 18.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 48.7 t -120.35 137.07 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.526 ' CG ' HD22 ' A' ' 96' ' ' LEU . 18.8 ttpt -146.88 148.31 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.673 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -123.59 149.45 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.81 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -131.19 105.5 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -102.71 146.42 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.44 101.25 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.806 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -131.59 107.25 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -78.26 121.21 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 108.86 -21.7 27.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.806 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.7 p -56.75 -21.29 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -90.38 1.42 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.622 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -113.75 -21.81 10.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.657 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.4 m -81.0 154.17 72.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.436 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.03 168.5 24.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -75.02 -4.68 39.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.66 -25.17 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.436 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 69.8 m-20 -85.0 -14.78 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.436 HG11 ' CE ' ' A' ' 88' ' ' LYS . 21.8 t -106.94 108.54 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -117.18 113.58 22.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -131.61 136.76 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.7 t-160 -124.83 135.59 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.49 ' C ' HG22 ' A' ' 83' ' ' VAL . 28.9 m-85 -102.03 146.31 28.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 57' ' ' SER . 2.5 p -128.73 -166.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -79.88 -36.89 35.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 15.8 mmm-85 -143.93 52.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.688 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.1 p 176.29 175.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.854 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.03 127.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 p-10 -105.86 145.41 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.757 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.64 116.78 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.791 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -110.42 148.34 32.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.764 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.7 t -142.19 109.4 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -105.46 159.88 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.657 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.4 t-20 44.27 94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.544 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -131.7 -136.15 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 65' ' ' LEU . 2.7 t30 -69.53 70.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . 65.34 20.63 67.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.495 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -169.29 177.5 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.65 ' HB2' HG23 ' A' ' 17' ' ' THR . 6.8 p -118.78 154.8 32.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.586 ' CG ' HD21 ' A' ' 38' ' ' LEU . 30.6 m-85 -132.0 145.86 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.7 p -130.15 142.26 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.873 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -149.3 122.21 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -137.33 145.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.854 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.06 122.4 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 10.3 m120 -116.72 127.12 54.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 83.06 96.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.701 HD21 HG21 ' A' ' 74' ' ' VAL . 43.6 mt -104.5 135.46 45.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.617 HD22 ' H ' ' A' ' 110' ' ' TYR . 11.3 tp -38.91 -48.76 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.6 mmtt -128.07 159.96 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.486 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.5 Cg_endo -74.94 167.41 27.13 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.0 154.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -89.19 104.47 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.49 HG22 ' C ' ' A' ' 53' ' ' PHE . 35.8 t -49.7 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' VAL . 38.8 mt-10 -38.76 -51.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.38 -33.53 72.96 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' SER . 14.7 m -50.06 151.25 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -156.04 158.6 38.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.59 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -120.4 142.55 49.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -136.92 163.23 31.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.4 t -135.44 139.03 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.7 -172.62 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.9 m -65.84 106.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 56.28 36.39 27.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 36' ' ' ILE . 18.9 m -156.73 140.69 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.757 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -108.24 125.36 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.4 mt -98.2 141.6 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 60' ' ' LEU . 16.9 mm -129.5 91.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.7 mt -78.01 118.22 20.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.433 ' HB3' HG21 ' A' ' 81' ' ' ILE . 2.1 m -119.64 108.04 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.706 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.5 mmp_? -57.29 147.59 25.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -90.24 130.19 36.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.486 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -70.01 -26.32 64.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 103' ' ' VAL . 1.7 m -150.19 111.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.13 -179.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 44.53 65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.426 HG21 ' HD2' ' A' ' 79' ' ' LYS . 1.3 m -159.09 98.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 149.62 49.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.567 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.0 m0 -111.0 92.88 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.961 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.412 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 76.6 m-20 -54.66 -23.63 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.617 ' H ' HD22 ' A' ' 78' ' ' LEU . 72.1 m-85 -157.06 149.96 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -55.77 -53.53 55.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.564 HG22 HD23 ' A' ' 77' ' ' LEU . 25.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.451 HG23 ' OG ' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.7 t -76.25 155.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.25 123.85 48.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.875 HD12 ' HB2' ' A' ' 72' ' ' MET . 32.5 mt -83.92 91.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -78.27 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.58 119.55 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 25.1 p90 -149.55 132.58 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.67 135.2 13.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 46.9 p-90 -141.99 148.3 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.473 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -144.94 150.88 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.532 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -129.74 145.63 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -139.99 151.02 45.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 69.0 m-20 -63.69 78.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 169.94 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 54.5 m-85 -156.07 165.78 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.52 142.01 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 22.5 ttpt -145.55 149.2 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.634 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -124.79 147.82 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.765 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -131.13 108.48 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.778 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -106.43 147.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.87 103.86 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.68 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -134.96 99.7 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.3 110.91 10.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 122.86 -25.19 6.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.8 p -56.87 -23.94 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -88.0 2.77 50.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -113.6 -25.83 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.723 HG11 ' O ' ' A' ' 64' ' ' ASN . 27.6 m -78.17 154.24 79.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 168.96 23.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.9 t -74.06 -3.67 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.73 -13.28 48.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 32.7 m-20 -104.76 2.13 29.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.95 101.66 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.69 114.71 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -134.42 139.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-160 -129.92 133.58 46.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.651 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 18.7 m-85 -101.38 146.11 28.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 57' ' ' SER . 12.2 p -128.19 -166.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.2 pt-20 -74.86 -41.79 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 57' ' ' SER . 15.4 mmm-85 -141.4 54.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.661 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.76 174.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.883 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.28 127.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.601 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -103.3 147.39 27.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.63 116.08 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.869 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -109.66 150.93 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.869 ' H ' HD22 ' A' ' 61' ' ' LEU . 83.8 t -144.69 112.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.533 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.16 158.47 17.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.723 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.0 t-20 44.82 94.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.608 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -131.17 -129.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.59 71.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.86 16.84 64.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -165.57 -179.6 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 17' ' ' THR . 65.8 p -121.86 149.16 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -127.14 149.86 49.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' VAL . 55.1 p -133.18 142.78 48.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.875 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.9 OUTLIER -146.67 121.12 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.527 HG12 ' CB ' ' A' ' 59' ' ' ASP . 14.4 mt -134.62 146.65 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -130.34 128.17 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.8 m-20 -127.84 128.67 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.5 m-20 85.21 84.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.677 HD21 HG21 ' A' ' 74' ' ' VAL . 73.5 mt -95.4 131.56 41.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.692 HD23 ' HA ' ' A' ' 108' ' ' TRP . 13.3 tp -39.44 -46.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.725 ' HD2' HG21 ' A' ' 106' ' ' THR . 25.6 mmtt -127.6 159.92 63.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 166.58 28.86 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.09 138.46 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.95 132.95 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' SER . 68.0 t -79.01 -68.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -47.67 -25.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.55 -25.29 21.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.511 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 2.1 m -64.91 156.12 32.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 98' ' ' LEU . 11.4 m -153.64 168.58 25.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.585 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -132.43 145.88 51.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 96' ' ' LEU . 2.5 mtmm -137.84 165.18 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.7 t -134.97 125.95 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.486 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -111.92 172.1 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 96.8 m -50.27 117.77 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.2 p30 44.97 38.55 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.778 HG23 ' O ' ' A' ' 36' ' ' ILE . 25.5 m -159.01 144.9 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 60' ' ' LEU . 5.7 p -113.79 124.32 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.765 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -96.8 145.64 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 96' ' ' LEU . 13.3 mm -136.92 90.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.1 mt -76.31 122.7 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.9 m -119.86 113.94 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.694 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.1 mmp_? -58.39 148.43 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -101.0 124.94 47.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -66.14 -27.77 68.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.48 116.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -66.99 172.3 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 m120 59.01 49.7 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.725 HG21 ' HD2' ' A' ' 79' ' ' LYS . 3.2 m -139.05 106.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.0 44.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.692 ' HA ' HD23 ' A' ' 78' ' ' LEU . 11.6 m0 -119.2 93.94 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.6 OUTLIER -58.87 -18.88 36.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.639 ' H ' HD22 ' A' ' 78' ' ' LEU . 89.2 m-85 -162.46 147.27 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -58.65 -31.93 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.528 HG22 HD23 ' A' ' 77' ' ' LEU . 11.1 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.447 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.692 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' SER . 40.4 t -76.93 152.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 118.46 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.817 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.9 mt -77.02 91.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -52.38 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.13 119.68 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 25.5 p90 -150.07 136.3 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.55 130.52 10.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.418 1.074 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.459 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.8 p-90 -132.93 154.82 50.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.596 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -168.52 131.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.554 ' CB ' HG22 ' A' ' 32' ' ' VAL . 2.8 pp0? -136.86 165.32 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.29 170.69 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 22.0 m-20 -65.28 82.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER 169.89 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 52.1 m-85 -150.95 169.91 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG22 ' CB ' ' A' ' 27' ' ' GLN . 41.7 t -120.15 137.93 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 19.9 ttpt -146.26 148.9 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.638 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -125.44 151.63 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.677 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -133.17 107.82 8.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.892 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -105.07 145.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.99 101.32 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.698 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -133.11 105.8 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -79.31 111.07 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.52 -25.78 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.1 p -56.64 -20.75 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -90.26 -1.52 57.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -107.26 -22.25 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.634 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.2 m -82.62 152.06 66.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.55 20.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -73.54 -3.24 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -83.81 -23.81 31.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 8.0 m120 -93.93 -6.72 44.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 39.3 t -112.54 105.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . 1.6 tp-100 -119.06 106.24 12.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -123.28 131.3 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-80 -120.58 134.9 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.627 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 39.2 m-85 -103.04 144.95 30.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 57' ' ' SER . 21.3 p -127.06 -164.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.7 pt-20 -78.16 -39.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 18.4 mmm-85 -142.01 53.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.703 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 176.15 174.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.38 127.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.4 p-10 -106.76 151.24 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -143.05 113.14 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.882 HD11 ' HD2' ' A' ' 63' ' ' LYS . 3.4 tm? -98.06 146.1 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.669 ' N ' HD13 ' A' ' 61' ' ' LEU . 84.9 t -147.46 102.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.882 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -105.62 166.55 10.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.634 ' O ' HG11 ' A' ' 44' ' ' VAL . 4.1 t-20 38.7 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -123.89 -125.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.86 74.56 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.96 19.82 63.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.504 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -165.79 -170.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.692 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.2 m -128.85 157.34 41.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.526 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.9 m-85 -136.45 149.93 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.4 p -136.33 142.24 43.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.817 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -147.62 120.13 8.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.43 144.84 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.804 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -126.76 122.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.54 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.4 m-80 -120.32 130.32 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.3 m-20 85.12 83.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD21 ' CG2' ' A' ' 74' ' ' VAL . 71.9 mt -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.8 tp -39.53 -46.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 12.2 mmtt -127.94 160.66 60.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.97 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.703 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.55 149.16 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 126.64 31.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.459 HG22 ' C ' ' A' ' 53' ' ' PHE . 40.8 t -74.2 -68.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.86 -37.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.09 -32.18 29.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.8 m -55.6 157.16 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.411 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 2.5 m -155.02 161.49 41.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.496 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.62 139.93 53.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -136.85 161.72 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 95' ' ' VAL . 92.6 t -134.31 132.84 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.481 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -114.83 178.37 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 51.5 m -59.22 121.36 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.8 p30 45.64 31.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.892 HG23 ' O ' ' A' ' 36' ' ' ILE . 28.9 m -156.41 146.2 21.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.739 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -114.75 128.26 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -96.59 148.26 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 58' ' ' PHE . 16.7 mm -136.37 90.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -77.14 118.8 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.459 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.8 m -119.86 108.74 14.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.306 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.703 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.0 mmp_? -57.64 147.31 27.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.473 ' HG3' HG23 ' A' ' 32' ' ' VAL . 17.8 mttt -94.87 143.64 26.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -89.5 -27.1 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -145.39 117.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.82 -174.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 40.5 44.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -129.13 103.24 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 141.67 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 11.4 m0 -107.05 100.77 10.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 16.0 m-20 -67.03 -16.78 64.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.527 ' H ' HD22 ' A' ' 78' ' ' LEU . 75.0 m-85 -160.08 157.42 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.597 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -69.46 -28.56 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 15.1 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' SER . 17.7 t -77.84 154.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -107.21 116.04 31.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.576 HD12 ' HB2' ' A' ' 72' ' ' MET . 11.4 mt -75.18 100.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.9 m -86.08 -55.08 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -87.48 120.25 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.614 ' HE1' HD12 ' A' ' 111' ' ' LEU . 18.4 p90 -149.37 137.26 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -86.74 135.94 13.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.3 p-90 -139.15 151.99 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.83 -177.46 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' A' ' 108' ' ' TRP . 21.1 pt20 -163.63 136.41 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.7 t -140.76 128.77 21.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.9 m-20 -41.51 91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.77 -55.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 47.2 m-85 -156.32 166.62 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.98 139.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.59 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.4 ttpt -145.09 148.34 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.5 mp -121.84 149.23 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.818 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -133.45 103.6 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -98.82 146.27 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -93.25 101.78 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.752 HD12 HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -135.42 104.89 6.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.408 ' HA ' ' CG ' ' A' ' 93' ' ' ASP . 1.1 m -79.57 104.25 10.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 130.91 -28.0 3.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -56.82 -18.08 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 93' ' ' ASP . 21.8 p-80 -90.11 -6.03 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -102.47 -20.92 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.0 m -82.06 150.29 64.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.92 21.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.4 t -72.31 -8.67 56.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -79.93 -22.0 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -94.63 -19.94 20.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.9 t -99.75 99.64 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -113.29 112.63 24.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.68 135.1 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.418 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 69.7 t60 -124.48 134.27 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.559 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 37.5 m-85 -102.3 144.21 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.5 p -126.98 -167.0 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.3 pt-20 -74.16 -41.82 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 4.5 mmm180 -141.53 59.87 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.72 ' N ' HD12 ' A' ' 77' ' ' LEU . 2.1 p 169.23 170.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.841 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.98 127.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.7 p-10 -105.66 147.16 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.782 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -144.72 115.34 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.792 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.72 148.72 30.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.785 ' H ' HD22 ' A' ' 61' ' ' LEU . 85.7 t -144.41 104.38 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.51 163.52 12.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.495 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.5 t-20 40.07 91.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.752 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -119.83 -120.53 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.77 78.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.49 18.47 67.79 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.99 -170.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.508 ' HB3' HG23 ' A' ' 17' ' ' THR . 70.9 m -131.48 150.53 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.566 ' CD1' HD23 ' A' ' 65' ' ' LEU . 10.4 m-85 -128.22 148.21 50.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' VAL . 36.8 p -134.46 142.11 46.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.576 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -147.78 119.31 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -135.32 144.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.841 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.57 121.81 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 5.4 m120 -117.99 132.47 56.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER 79.07 91.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 57' ' ' SER . 40.7 mt -99.52 132.29 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.752 HD22 ' H ' ' A' ' 110' ' ' TYR . 5.4 tp -37.24 -45.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.52 ' HB2' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mmtt -127.49 160.14 61.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.468 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.02 165.03 32.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -147.95 140.71 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.33 138.69 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.82 -68.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -49.87 -22.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.02 -29.44 10.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -61.41 163.25 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 m -157.94 159.91 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.68 140.27 53.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 96' ' ' LEU . 4.6 mtmt -138.04 158.31 44.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.468 HG22 HG23 ' A' ' 95' ' ' VAL . 85.5 t -134.27 128.04 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.11 178.45 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.0 m -63.34 118.69 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 42' ' ' HIS . 74.2 m-20 51.87 28.03 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 36' ' ' ILE . 25.0 m -154.74 145.04 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.782 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -113.76 130.43 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.818 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.1 mt -101.38 147.77 25.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.533 HD11 ' CD1' ' A' ' 60' ' ' LEU . 17.4 mm -137.0 90.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.477 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -76.82 120.72 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 36.1 m -120.37 109.75 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.0 mmp_? -58.02 148.26 26.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -98.91 136.23 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -75.73 -23.58 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.27 118.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.63 172.39 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 52.3 60.73 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.448 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.1 m -131.74 146.2 52.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -105.67 136.6 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -113.08 92.56 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.509 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 11.4 m-20 -61.99 -14.57 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.752 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.4 m-85 -161.57 139.72 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.614 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -50.74 -36.26 35.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -76.21 155.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.07 122.84 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.681 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.1 mt -84.68 92.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.557 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 63.1 m -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.96 119.79 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 16.7 p90 -149.75 135.11 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.776 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -80.0 139.29 21.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 36.2 p-90 -145.9 157.45 43.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -158.6 173.53 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HB2' HG22 ' A' ' 32' ' ' VAL . 15.9 pm0 -151.38 146.29 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -139.89 154.57 47.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.7 m-20 -63.57 79.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.8 mtmt 167.64 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 42.0 m-85 -155.49 167.72 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 27' ' ' GLN . 46.2 t -119.45 142.68 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 3.0 ptmt -146.5 156.56 43.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.776 HG23 ' O ' ' A' ' 24' ' ' GLY . 3.6 mp -127.25 142.64 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.583 ' CD1' HD21 ' A' ' 96' ' ' LEU . 2.6 m-85 -119.77 109.73 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -109.7 148.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.93 114.02 26.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.75 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -146.33 101.87 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -75.23 120.7 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 110.66 -23.5 19.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.3 p -56.73 -25.9 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -84.65 -2.83 58.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -107.98 -36.17 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.5 m -66.74 154.05 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.02 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -74.46 -3.7 32.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -86.79 -29.21 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.433 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 59.1 m-20 -81.42 -15.61 54.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.92 112.79 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -118.92 116.38 26.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.237 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -132.91 135.6 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 75.9 t60 -124.7 137.67 54.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 29.8 m-85 -106.46 145.82 31.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.461 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 74.0 p -131.03 -164.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 4.3 pt-20 -77.54 -40.94 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' SER . 11.8 mmm-85 -142.32 67.11 1.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 2.4 p 159.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.885 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.35 127.64 5.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.6 p-10 -105.27 143.65 33.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.08 117.09 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -111.57 147.86 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.776 ' N ' HD13 ' A' ' 61' ' ' LEU . 71.3 t -142.33 115.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.596 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -111.25 162.77 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.659 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.5 t30 40.46 90.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.561 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -128.01 -132.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.01 70.5 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.07 21.38 61.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 2.5 ptpt -163.59 -169.91 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.697 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.2 m -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.668 ' CG ' HD21 ' A' ' 38' ' ' LEU . 24.3 m-85 -131.48 148.72 52.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.681 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.3 ttt -149.38 122.09 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.569 HG12 ' CB ' ' A' ' 59' ' ' ASP . 8.9 mt -135.56 143.75 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.885 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.6 119.08 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 84.0 m-20 -119.84 131.08 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.8 m-20 85.66 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 74' ' ' VAL . 97.1 mt -96.0 131.4 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.639 HD22 ' H ' ' A' ' 110' ' ' TYR . 11.7 tp -38.07 -48.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mmtt -124.84 159.25 59.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.96 166.94 28.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.0 138.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.5 143.64 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 46.0 t -87.32 -68.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -54.44 -19.3 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.54 -31.74 8.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -64.81 157.14 28.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.09 161.73 41.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.56 131.87 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.8 mtmt -125.95 163.16 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.41 HG22 HG23 ' A' ' 95' ' ' VAL . 40.7 t -134.88 123.9 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 m -53.8 119.14 4.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 44.21 34.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 36' ' ' ILE . 37.7 m -155.77 148.28 23.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 60' ' ' LEU . 5.3 p -118.53 115.34 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -88.88 132.24 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.476 HD11 ' HG ' ' A' ' 60' ' ' LEU . 15.9 mm -117.4 90.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.98 120.57 18.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 58.6 m -119.91 111.98 18.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.24 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.3 mmp_? -58.43 148.35 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 4.7 mttt -100.11 124.6 45.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -65.32 -27.44 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.3 OUTLIER -149.42 115.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.07 172.14 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 60.52 53.59 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.405 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.1 m -138.23 144.75 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -105.4 144.8 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.58 ' HA ' HD23 ' A' ' 78' ' ' LEU . 12.4 m0 -113.26 98.44 7.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 13.6 m-20 -64.97 -17.76 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.639 ' H ' HD22 ' A' ' 78' ' ' LEU . 37.7 m-85 -162.46 146.92 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -54.96 -44.97 74.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.528 HG22 HD23 ' A' ' 77' ' ' LEU . 12.7 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.656 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 39.3 t -76.29 153.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -105.9 116.35 31.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.942 HD12 ' HB2' ' A' ' 72' ' ' MET . 17.7 mt -74.78 93.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -44.4 16.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.1 119.55 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.628 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 24.5 p90 -149.64 131.99 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.15 134.36 12.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.6 p-90 -138.1 151.2 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -148.06 144.26 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.586 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -127.12 144.88 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 41.0 m -140.25 151.04 44.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.05 80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER 168.51 -55.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 41.8 m-85 -154.82 168.62 26.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -116.15 138.03 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.69 ' HD2' HD22 ' A' ' 96' ' ' LEU . 12.5 ttpt -141.79 149.1 39.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.699 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -123.3 149.16 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -131.78 105.05 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 94' ' ' THR . 2.9 mp -104.3 149.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 102.25 14.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.69 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.01 101.88 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.16 118.39 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 113.58 -23.81 13.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.3 p -56.1 -26.07 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.28 3.26 40.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.631 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -114.77 -33.84 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.541 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.3 m -65.61 155.41 85.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.04 169.5 22.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -75.32 -7.28 53.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.13 -28.96 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 52.0 m-20 -79.9 -26.03 40.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 t -99.35 112.42 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -124.03 111.44 15.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -126.17 138.43 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 4.1 t60 -124.61 135.59 53.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.2 m-85 -105.98 137.13 44.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 57' ' ' SER . 14.2 p -121.71 -166.34 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -78.87 -36.77 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 12.9 mmm-85 -143.76 55.11 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.72 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.44 172.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.809 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.89 127.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.732 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.7 p-10 -109.29 148.66 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.22 114.64 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.57 148.19 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG1' HD22 ' A' ' 65' ' ' LEU . 97.7 t -146.83 101.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -104.03 160.26 14.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.541 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.2 t30 43.34 92.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.533 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -127.33 -131.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.09 72.13 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.12 20.44 64.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.76 -169.95 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.656 ' HB2' HG23 ' A' ' 17' ' ' THR . 17.2 p -134.36 151.6 51.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.575 ' CG ' HD21 ' A' ' 38' ' ' LEU . 19.3 m-85 -130.51 151.09 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.2 p -133.16 138.48 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.942 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -144.86 118.87 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.52 143.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.809 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.14 122.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 60.0 m-80 -119.0 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.7 OUTLIER 78.61 85.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.783 HD21 ' CG2' ' A' ' 74' ' ' VAL . 37.4 mt -94.76 132.07 39.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.622 HD22 ' H ' ' A' ' 110' ' ' TYR . 5.0 tp -38.53 -47.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.5 mmtp -127.92 159.81 64.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.1 Cg_endo -75.02 166.02 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -144.32 138.06 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -72.06 117.99 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.468 HG22 ' C ' ' A' ' 53' ' ' PHE . 41.4 t -67.11 -60.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -48.82 -22.25 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.6 -25.56 9.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.548 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 73.3 m -59.58 154.89 16.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 0.749 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 m -155.63 157.63 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.638 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -118.82 143.41 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 4.8 mtmt -138.8 161.09 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.02 131.13 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -116.63 172.2 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.1 m -51.54 118.55 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.97 37.56 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.5 m -158.79 142.59 15.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.76 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -111.29 126.23 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 34' ' ' ILE . 3.4 mt -98.41 145.95 26.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 60' ' ' LEU . 17.0 mm -135.41 91.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.538 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -76.63 118.56 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.442 ' HB3' HG21 ' A' ' 81' ' ' ILE . 8.7 m -119.6 106.92 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.9 mmp_? -57.71 148.39 24.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -97.41 144.12 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -83.56 -25.91 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -150.23 117.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -61.48 178.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 45.44 61.67 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.5 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.5 m -144.2 100.48 3.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.52 148.35 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.9 m0 -115.39 95.81 5.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -57.75 -28.49 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.622 ' H ' HD22 ' A' ' 78' ' ' LEU . 74.8 m-85 -150.18 138.24 20.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.577 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -48.89 -32.04 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 69' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.23 150.67 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 112.27 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 72' ' ' MET . 23.4 mt -78.36 72.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -43.69 84.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -95.57 119.55 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 38.3 p90 -150.04 138.54 20.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -88.39 131.09 10.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.646 ' CE3' HD23 ' A' ' 111' ' ' LEU . 36.4 p-90 -133.53 147.62 51.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.608 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -160.61 133.89 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.485 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -147.23 163.91 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.83 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.66 84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 171.27 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.3 m-85 -146.96 170.28 17.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 47.5 t -119.02 137.28 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.8 ttpt -146.36 146.24 30.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.9 mp -120.99 149.53 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.803 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -131.7 104.08 6.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.9 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -101.92 149.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.721 HD21 ' CG ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -137.11 100.99 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.22 122.08 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.413 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 109.44 -23.34 22.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -55.98 -25.25 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -87.51 5.13 40.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.32 -30.17 7.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.78 HG11 ' O ' ' A' ' 64' ' ' ASN . 34.2 m -72.91 156.37 89.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -74.95 169.95 21.48 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t -77.24 -3.5 40.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.04 -19.53 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.411 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 44.2 m-20 -89.65 -17.64 28.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG11 ' CE ' ' A' ' 88' ' ' LYS . 47.1 t -103.25 110.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -117.43 114.27 23.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -133.42 133.58 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 66.1 t60 -123.97 131.45 53.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' C ' HG22 ' A' ' 83' ' ' VAL . 68.1 m-85 -101.46 148.66 24.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.6 p -131.55 -164.53 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 1.8 pt-20 -78.86 -37.23 40.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 15.5 mmm-85 -143.75 61.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.5 p 164.31 166.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.821 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -163.15 127.75 3.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.0 p-10 -106.0 144.54 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.92 117.59 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.803 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -112.99 149.26 33.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.794 ' H ' HD22 ' A' ' 61' ' ' LEU . 93.1 t -142.19 104.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.24 153.38 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.78 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.3 t-20 49.83 101.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.555 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -139.66 -131.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -70.6 69.33 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.31 18.79 63.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -165.78 -172.03 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.516 ' HB3' HG22 ' A' ' 17' ' ' THR . 17.1 m -125.63 156.85 38.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.721 ' CG ' HD21 ' A' ' 38' ' ' LEU . 32.7 m-85 -135.85 129.28 32.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.8 p -114.01 143.48 44.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.628 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.1 ttm -151.66 118.59 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.97 146.58 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.1 122.53 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 30.2 m-20 -118.35 128.13 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 82.61 90.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.781 HD21 HG21 ' A' ' 74' ' ' VAL . 69.1 mt -99.28 134.98 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.616 HD22 ' H ' ' A' ' 110' ' ' TYR . 6.3 tp -37.79 -46.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 26.9 mmtt -129.64 161.66 57.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 165.64 30.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -142.93 141.36 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.6 OUTLIER -76.93 112.89 14.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.956 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 86' ' ' SER . 13.3 t -58.68 -66.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.75 -44.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.15 -33.3 45.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 82' ' ' SER . 73.7 m -52.03 155.53 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 2.0 m -159.62 159.87 33.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.554 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -121.0 144.46 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.7 mtmt -138.45 162.93 33.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.9 132.17 53.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -117.1 175.01 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 95.9 m -52.25 117.27 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.0 p30 44.87 37.75 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.0 m -157.34 144.73 18.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 60' ' ' LEU . 7.6 p -112.82 124.35 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.803 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -95.85 144.41 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.509 HD11 ' CD1' ' A' ' 60' ' ' LEU . 21.1 mm -133.23 91.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -78.02 119.32 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.517 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.1 m -119.65 105.04 10.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.716 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.9 mmp_? -56.71 147.67 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -94.36 148.35 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -87.7 -26.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -152.3 116.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.94 169.49 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.47 35.76 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.6 m -128.95 96.6 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.55 154.5 32.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.522 ' HA ' HD23 ' A' ' 78' ' ' LEU . 13.6 m0 -117.44 99.92 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.45 -28.26 68.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.616 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.7 m-85 -141.97 164.29 30.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.646 HD23 ' CE3' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -71.48 -31.16 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.579 HG23 HD13 ' A' ' 111' ' ' LEU . 18.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.681 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.5 t -78.0 150.87 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.04 114.85 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.669 HD12 ' HB2' ' A' ' 72' ' ' MET . 22.2 mt -74.69 95.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -83.15 -50.5 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.97 120.29 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 26.3 p90 -149.04 134.39 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -86.31 134.11 12.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.6 p-90 -137.21 152.25 49.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.612 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -166.58 134.03 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.6 ' CB ' HG22 ' A' ' 32' ' ' VAL . 3.0 pp0? -137.96 165.06 27.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.6 170.49 15.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.37 82.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER 171.05 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 50.7 m-85 -148.7 170.19 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG22 ' CB ' ' A' ' 27' ' ' GLN . 25.1 t -117.11 138.76 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HD2' HD22 ' A' ' 96' ' ' LEU . 10.3 ttpt -145.72 148.34 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.687 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -124.8 154.46 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -136.16 107.9 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -107.59 148.52 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.64 113.14 25.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.769 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -145.5 99.57 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.44 111.91 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.07 -24.61 7.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 38' ' ' LEU . 10.7 p -56.33 -24.28 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -87.94 3.74 47.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 -21.45 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.637 HG11 ' O ' ' A' ' 64' ' ' ASN . 24.0 m -82.74 153.32 67.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 170.07 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -74.24 -3.7 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -84.39 -24.6 29.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 53.6 m-20 -90.4 -13.45 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 16.9 t -106.45 102.1 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -114.22 111.45 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.84 133.25 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 t-160 -122.65 127.97 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' C ' HG22 ' A' ' 83' ' ' VAL . 66.8 m-85 -94.1 153.6 18.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 83' ' ' VAL . 25.5 p -134.19 -167.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -80.3 -35.58 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.49 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -143.4 58.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.635 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.2 p 166.0 178.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.817 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.45 128.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 p-10 -106.41 142.37 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.658 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -139.83 115.6 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.839 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -108.12 150.7 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.839 ' H ' HD22 ' A' ' 61' ' ' LEU . 69.4 t -143.99 116.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.532 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.85 164.26 13.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.637 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER 40.53 91.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.591 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -127.95 -128.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.06 73.27 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.43 19.15 66.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.36 -173.82 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.754 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.681 ' CB ' HG23 ' A' ' 17' ' ' THR . 48.9 m -125.76 159.18 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.741 ' CD2' HD21 ' A' ' 38' ' ' LEU . 25.1 m-85 -134.79 147.37 49.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' VAL . 50.8 p -132.24 142.33 49.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.669 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -150.83 119.03 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.3 mt -135.18 144.85 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.92 123.16 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 25.7 m120 -120.19 130.73 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.3 m-20 83.29 90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 74' ' ' VAL . 58.0 mt -102.28 134.69 45.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.635 HD22 ' H ' ' A' ' 110' ' ' TYR . 9.3 tp -39.1 -46.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 18.7 mmtt -129.35 160.1 65.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.49 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.99 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -141.92 141.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -78.82 103.23 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' THR . 22.2 t -51.4 -61.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' VAL . 44.0 mt-10 -38.8 -51.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -30.58 61.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 82' ' ' SER . 21.6 m -51.31 153.38 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.2 161.05 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.616 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -122.15 142.73 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.4 mtmt -137.03 161.95 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.9 130.39 52.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 2.4 ptpt -113.45 -178.15 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 89.4 m -60.92 118.82 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 92' ' ' THR . 3.9 p30 46.11 30.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 36' ' ' ILE . 19.9 m -152.53 143.92 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -111.31 131.45 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.744 HD22 ' HD2' ' A' ' 33' ' ' LYS . 3.7 mt -102.98 143.73 32.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.559 HD11 ' CD1' ' A' ' 60' ' ' LEU . 19.5 mm -133.04 90.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.52 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.3 mt -76.09 119.34 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.589 ' HB3' HG21 ' A' ' 81' ' ' ILE . 2.3 m -119.71 103.17 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.697 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.6 mmp_? -56.83 147.95 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -92.29 153.96 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -91.25 -25.05 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.63 117.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -61.65 173.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 55.57 50.91 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.425 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -139.12 102.12 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -71.16 152.25 43.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.6 m0 -116.75 99.22 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.528 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 28.6 m-20 -66.96 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.635 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -162.05 154.08 19.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -66.75 -35.53 80.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 19.4 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.593 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.31 151.25 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -103.12 117.09 33.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.536 HD12 ' HB2' ' A' ' 72' ' ' MET . 12.8 mt -78.49 96.51 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.2 p -86.9 -40.85 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.32 119.7 38.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 27.5 p90 -148.57 139.83 23.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.23 127.42 8.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 22.5 p-90 -129.24 145.82 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -159.07 133.72 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.463 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -142.16 165.32 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -37.6 92.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.82 -50.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -150.76 170.52 19.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG23 ' HG3' ' A' ' 101' ' ' LYS . 39.7 t -123.51 135.71 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 7.9 ttpt -147.16 150.41 34.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.66 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -127.94 151.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.735 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -132.01 104.27 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.816 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -101.04 147.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 m -92.8 105.6 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.709 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.65 100.76 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.416 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -76.36 119.24 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.431 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 111.75 -22.94 18.34 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.8 p -57.0 -18.71 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -89.33 1.86 55.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.21 -20.39 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.532 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.6 m -80.41 154.43 74.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 177.07 9.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 t -81.3 -7.27 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -84.24 -21.49 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -88.83 -17.74 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG11 ' CE ' ' A' ' 88' ' ' LYS . 28.4 t -107.77 108.08 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -120.07 110.93 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -127.14 135.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 2.5 t-80 -123.88 131.09 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 56.3 m-85 -101.08 144.3 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 57' ' ' SER . 1.2 p -126.95 -166.45 1.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 3.0 pt-20 -74.69 -41.46 60.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 2.8 mmm180 -141.17 51.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.75 ' N ' HD12 ' A' ' 77' ' ' LEU . 25.1 m 179.67 172.37 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.824 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.47 127.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.67 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.3 p-10 -107.18 151.43 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.665 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.0 116.51 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.872 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -107.48 151.08 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.872 ' H ' HD22 ' A' ' 61' ' ' LEU . 90.6 t -146.84 112.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -111.86 166.03 11.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.532 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER 39.98 90.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.536 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.64 -134.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.2 t-20 -71.66 70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.8 21.89 67.81 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.28 -178.56 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.593 ' HB2' HG23 ' A' ' 17' ' ' THR . 15.3 p -125.04 151.68 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 29.4 m-85 -129.94 148.51 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 p -134.37 140.3 46.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.542 ' HE1' ' CG ' ' A' ' 23' ' ' TYR . 1.8 ttm -147.09 125.5 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' ASP . 6.2 mt -138.29 142.25 35.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.824 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.81 123.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.0 m-80 -127.12 138.11 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.5 m-20 84.44 65.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.75 HD12 ' N ' ' A' ' 57' ' ' SER . 33.2 mt -79.86 134.19 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.54 HD22 ' H ' ' A' ' 110' ' ' TYR . 13.9 tp -42.8 -48.64 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 6.3 mmtt -124.2 159.81 55.31 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.471 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.06 160.68 39.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.731 HD13 ' SG ' ' A' ' 99' ' ' CYS . 1.7 pp -142.64 142.07 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 133.14 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.484 HG22 ' C ' ' A' ' 53' ' ' PHE . 42.7 t -77.28 -68.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -48.12 -27.94 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.57 -31.32 16.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.0 m -59.35 157.81 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.2 m -157.01 157.54 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.577 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -122.45 144.63 48.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.4 mtmm -136.14 165.13 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.83 130.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -113.24 -173.81 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.7 m -65.93 109.76 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 98.7 m-20 55.46 32.77 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 36' ' ' ILE . 20.0 m -154.63 144.97 22.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.665 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -113.92 122.93 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.735 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -93.57 145.86 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 60' ' ' LEU . 13.5 mm -134.58 91.51 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.6 mt -78.31 121.65 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.731 ' SG ' HD13 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -120.69 113.9 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.694 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.2 mmp_? -58.87 149.01 28.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' A' ' 32' ' ' VAL . 4.6 mttt -100.45 106.54 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -42.53 -29.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -151.3 114.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -63.42 176.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 57.8 49.94 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.42 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 1.3 m -140.56 106.62 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.16 144.9 51.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.2 m0 -111.1 99.14 8.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.47 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 27.5 m-20 -68.51 -15.96 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.54 ' H ' HD22 ' A' ' 78' ' ' LEU . 65.3 m-85 -160.08 152.03 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -64.65 -46.77 81.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.697 HG21 ' HE2' ' A' ' 68' ' ' LYS . 35.4 t -77.3 155.23 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -105.49 110.56 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.694 HD12 ' HB2' ' A' ' 72' ' ' MET . 23.8 mt -69.12 101.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.67 -58.28 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -87.3 119.63 27.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' HE1' HD12 ' A' ' 111' ' ' LEU . 24.7 p90 -148.15 135.53 20.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.93 133.33 11.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.596 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 41.0 p-90 -135.28 150.11 49.95 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -148.54 140.75 24.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.596 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.4 pm0 -122.79 147.47 46.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -137.01 147.65 46.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.2 m-20 -63.96 77.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.619 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 164.83 -46.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.619 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.8 m-85 -155.48 169.29 24.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.465 HG23 ' HE2' ' A' ' 101' ' ' LYS . 54.0 t -125.11 141.86 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.583 ' CG ' HD22 ' A' ' 96' ' ' LEU . 14.6 ttpt -146.33 149.9 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.648 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -122.3 144.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.774 ' CD2' HD21 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -128.68 104.53 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.857 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -101.54 143.16 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 m -88.88 104.82 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.791 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -138.12 102.57 4.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.41 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -78.16 118.89 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.53 -22.06 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.4 p -56.55 -20.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.96 4.65 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -113.54 -15.62 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 41' ' ' VAL . 33.2 m -80.82 155.65 73.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.94 169.75 21.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -76.82 -3.79 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -88.43 -19.94 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.462 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 76.7 m-20 -92.85 -22.33 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 t -98.42 91.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -110.78 112.53 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.77 134.46 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -122.06 135.76 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CZ ' ' C ' ' A' ' 87' ' ' SER . 33.8 m-85 -104.44 144.61 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 57' ' ' SER . 41.7 p -128.96 -163.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.7 pt-20 -80.19 -38.83 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 78' ' ' LEU . 6.6 mmm180 -142.32 61.2 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.45 ' N ' HD12 ' A' ' 77' ' ' LEU . 4.9 p 164.78 169.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.046 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.885 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.29 127.7 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -103.96 147.96 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.835 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.45 115.59 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.9 HD21 ' HD3' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -108.98 148.65 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.812 ' H ' HD22 ' A' ' 61' ' ' LEU . 68.9 t -147.12 101.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.9 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -101.15 164.29 11.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.472 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 1.0 OUTLIER 39.87 90.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.634 HD21 HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -121.94 -114.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 66' ' ' ASN . 9.8 p30 -95.99 78.82 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.61 16.13 60.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.697 ' HE2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -165.69 -169.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.631 ' HB3' HG23 ' A' ' 17' ' ' THR . 49.5 m -131.75 152.76 50.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.633 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.5 m-85 -130.16 144.29 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 78.3 p -133.14 142.86 48.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.694 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.2 ttt -148.83 120.41 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.545 HG12 ' CB ' ' A' ' 59' ' ' ASP . 12.3 mt -133.31 145.09 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.885 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.73 119.01 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 32.5 m120 -115.88 126.98 54.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.9 m120 82.84 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.653 HD21 HG21 ' A' ' 74' ' ' VAL . 82.5 mt -103.3 133.97 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 110' ' ' TYR . 5.2 tp -37.15 -46.31 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.532 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.9 mmtt -127.52 160.89 58.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -74.95 164.63 33.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 99' ' ' CYS . 1.3 pp -144.34 142.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.04 128.2 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 ' C ' ' A' ' 53' ' ' PHE . 38.9 t -71.88 -68.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -45.09 -26.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.29 -31.24 9.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.7 m -59.32 169.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.486 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -168.37 158.71 9.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.491 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -120.09 141.62 49.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.5 mtmt -140.22 160.13 40.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.5 t -134.81 132.35 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -108.3 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -68.81 110.1 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 66.9 m-20 59.74 32.39 21.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 36' ' ' ILE . 15.8 m -159.83 139.91 11.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 60' ' ' LEU . 7.7 p -105.06 130.87 55.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.774 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.6 mt -101.57 149.15 24.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 96' ' ' LEU . 16.1 mm -138.61 90.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 4.7 mt -77.58 120.52 22.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.456 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.7 m -119.67 107.36 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mmp_? -57.59 148.08 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.465 ' HE2' HG23 ' A' ' 32' ' ' VAL . 6.0 mttt -96.16 137.66 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -77.85 -25.79 48.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.83 118.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 30' ' ' LYS . 1.6 mm-40 -60.52 -173.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' GLU . 93.8 m-20 39.63 60.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.445 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.3 m -137.36 137.29 38.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.73 143.08 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.4 m0 -113.64 93.97 4.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 11.6 m-20 -58.89 -20.15 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.773 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -157.99 139.78 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.598 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -44.64 -46.21 10.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.432 HG22 HD23 ' A' ' 77' ' ' LEU . 40.0 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.783 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.436 HG21 ' HE2' ' A' ' 68' ' ' LYS . 39.8 t -77.78 153.98 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.21 111.55 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.798 HD12 ' HB2' ' A' ' 72' ' ' MET . 28.0 mt -68.78 92.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -60.12 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.16 119.84 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 31.0 p90 -149.4 130.55 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -81.95 134.4 13.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.041 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.2 p-90 -138.87 149.31 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -145.86 146.35 31.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.1 pm0 -122.11 149.71 43.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 96.8 m-20 -65.08 76.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 29' ' ' ASP . 4.7 mtmt 165.78 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 59.1 m-85 -155.73 143.97 20.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.84 145.35 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -147.21 145.87 29.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.628 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.5 mp -119.7 153.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.704 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -136.49 110.42 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.729 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -109.0 150.89 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -94.98 106.28 18.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.627 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -138.93 104.71 5.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.98 119.46 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 111.9 -23.61 16.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -56.24 -24.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -86.14 3.28 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -113.75 -30.19 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.658 HG11 ' O ' ' A' ' 64' ' ' ASN . 31.6 m -72.88 153.72 91.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -74.96 174.26 13.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -76.42 -6.43 51.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.452 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.5 pt-20 -80.83 -32.69 35.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 26.6 m-20 -81.5 -18.81 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.01 106.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -119.96 114.52 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.49 137.6 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 13.7 t-160 -126.57 133.36 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.594 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -101.33 144.42 30.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.548 ' CA ' HG22 ' A' ' 83' ' ' VAL . 65.1 p -126.98 -163.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.3 pt-20 -79.18 -40.58 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.78 52.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.676 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.3 p 177.19 172.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.789 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.02 127.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.4 p-10 -105.45 149.0 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.62 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.77 116.83 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.834 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -109.68 149.68 29.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.834 ' H ' HD22 ' A' ' 61' ' ' LEU . 69.7 t -146.83 103.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.799 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -102.19 167.07 10.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.658 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.6 t-20 39.87 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.554 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.75 -129.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.47 72.47 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.27 21.2 63.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.22 -169.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.783 ' HB3' HG23 ' A' ' 17' ' ' THR . 58.0 m -133.1 153.08 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.569 ' CG ' HD21 ' A' ' 38' ' ' LEU . 44.6 m-85 -133.05 149.83 52.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 58.4 p -137.54 142.44 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.798 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.3 ttt -148.28 122.68 9.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.32 144.67 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.789 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.71 123.93 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 8.6 m120 -119.65 127.7 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.2 m-20 83.29 92.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.75 HD21 ' CG2' ' A' ' 74' ' ' VAL . 40.5 mt -101.11 134.05 44.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.4 tp -38.5 -49.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 16.9 mmtt -125.29 159.19 61.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.488 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.4 Cg_endo -75.01 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.457 HG22 ' HA ' ' A' ' 101' ' ' LYS . 1.6 pp -152.91 146.95 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -70.55 131.5 44.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.548 HG22 ' CA ' ' A' ' 54' ' ' THR . 37.6 t -73.72 -69.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.69 -14.16 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.64 -16.14 46.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.405 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 2.0 m -83.67 165.35 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -158.25 160.79 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.84 143.39 45.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.2 mtmt -134.85 161.26 35.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -134.98 135.78 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.47 ' CE ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.86 174.81 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -54.25 119.36 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 44.95 34.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 36' ' ' ILE . 27.1 m -156.46 145.43 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -114.88 126.24 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.704 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -95.88 147.89 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.523 HD13 ' O ' ' A' ' 96' ' ' LEU . 17.0 mm -140.66 91.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 33' ' ' LYS . 1.9 mt -77.01 132.32 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 83.8 m -118.25 106.65 13.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -58.36 104.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.684 ' HZ1' ' HE1' ' A' ' 108' ' ' TRP . 1.6 mttt -60.17 133.93 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -70.95 -36.79 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.82 121.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.86 173.64 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 61.44 49.57 5.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.563 HG22 ' HZ1' ' A' ' 101' ' ' LYS . 1.1 m -140.85 127.76 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -86.54 153.72 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.684 ' HE1' ' HZ1' ' A' ' 101' ' ' LYS . 9.4 m0 -122.32 90.96 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 2.2 m-20 -54.93 -21.38 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.675 ' H ' HD22 ' A' ' 78' ' ' LEU . 88.6 m-85 -162.11 155.59 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -60.46 -40.47 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 12.1 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.687 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.7 t -76.7 155.16 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -106.65 115.75 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.954 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.9 mt -74.37 95.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.0 m -79.69 -59.29 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -86.95 121.32 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 34.9 p90 -148.75 130.05 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.03 128.21 8.35 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.595 ' CE3' HD23 ' A' ' 111' ' ' LEU . 49.9 p-90 -131.26 167.37 19.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -155.76 175.69 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.492 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 18.3 pm0 -156.15 144.77 20.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 147.87 40.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.7 m-20 -63.35 77.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mttt 165.19 -51.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.684 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 52.5 m-85 -156.06 157.32 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -112.1 148.38 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.54 ' CG ' HD22 ' A' ' 96' ' ' LEU . 13.5 ttpt -146.81 151.1 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.647 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.0 mp -124.28 149.0 28.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.741 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -132.59 110.02 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -109.04 150.38 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -94.08 108.71 20.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.72 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -142.0 102.46 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.96 117.18 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 114.76 -23.72 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.1 p -56.46 -23.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -86.96 -0.7 57.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.64 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.84 -31.14 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.8 m -71.93 154.07 92.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -76.64 -7.56 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -81.09 -32.56 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 56.1 m-20 -80.67 -13.04 59.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 t -110.21 104.75 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -115.82 115.6 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -133.6 139.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.3 t-160 -127.64 132.88 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.81 144.22 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.7 p -126.83 -164.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.1 pt-20 -80.08 -36.04 36.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 21.5 mmm-85 -144.43 57.65 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.741 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.9 p 168.24 173.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.816 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.44 127.58 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.5 p-10 -104.31 147.71 27.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.584 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.81 116.76 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.822 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -109.81 150.08 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.822 ' H ' HD22 ' A' ' 61' ' ' LEU . 70.3 t -143.47 112.14 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.695 ' HE3' HD21 ' A' ' 61' ' ' LEU . 1.4 mttt -109.46 162.78 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.668 ' O ' HG11 ' A' ' 44' ' ' VAL . 19.0 t30 40.95 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.564 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.71 -129.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -74.45 72.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.18 61.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.46 -170.31 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.687 ' HB3' HG23 ' A' ' 17' ' ' THR . 50.2 m -130.13 153.1 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 22.9 m-85 -131.88 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 77.2 p -131.59 144.13 50.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.954 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -151.28 118.52 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -135.6 142.91 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.816 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.61 119.28 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.9 m-20 -116.84 132.67 56.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.9 OUTLIER 79.58 90.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.741 HD12 ' N ' ' A' ' 57' ' ' SER . 43.5 mt -99.38 132.95 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.678 HD22 ' H ' ' A' ' 110' ' ' TYR . 6.2 tp -37.81 -47.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HD2' HG21 ' A' ' 106' ' ' THR . 19.4 mmtt -126.85 160.86 56.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.521 ' O ' HG23 ' A' ' 81' ' ' ILE . 18.2 Cg_endo -74.97 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 80' ' ' PRO . 1.3 pp -155.35 151.26 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -79.42 127.54 32.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 37.4 t -70.02 -69.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.6 -15.36 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.83 -16.06 46.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.409 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 4.5 m -83.2 167.55 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -160.03 157.68 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -116.5 144.29 44.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.3 mtmt -137.76 162.65 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.6 t -134.57 136.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.88 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 60.2 m -50.83 118.02 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.3 p30 45.02 37.11 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 36' ' ' ILE . 49.6 m -157.55 145.06 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -114.05 125.3 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.741 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -96.25 146.95 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 96' ' ' LEU . 15.8 mm -139.91 90.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD23 ' HE2' ' A' ' 33' ' ' LYS . 2.0 mt -75.81 132.62 40.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 80.9 m -118.43 111.78 19.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.684 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -64.46 102.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HE3' ' NE1' ' A' ' 108' ' ' TRP . 1.0 OUTLIER -54.39 134.37 45.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.601 ' HE2' HG23 ' A' ' 103' ' ' VAL . 4.3 ttpt -76.29 -32.48 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.601 HG23 ' HE2' ' A' ' 102' ' ' LYS . 48.0 t -139.95 130.58 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.06 170.18 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 55.44 47.17 21.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.493 HG21 ' HD2' ' A' ' 79' ' ' LYS . 5.6 m -129.95 123.01 29.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.5 150.49 23.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -118.77 100.19 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.4 -19.81 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.678 ' H ' HD22 ' A' ' 78' ' ' LEU . 67.0 m-85 -150.16 149.83 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.595 HD23 ' CE3' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -58.35 -37.6 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 76' ' ' ASN . 15.7 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -77.09 146.0 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.63 123.3 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.772 HD12 ' HB2' ' A' ' 72' ' ' MET . 29.0 mt -80.99 95.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -80.03 -61.28 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -85.41 120.14 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.666 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 36.5 p90 -148.46 131.7 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.509 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.11 135.39 14.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.6 p-90 -138.6 139.84 38.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.59 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -136.83 142.27 42.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 32' ' ' VAL . 10.0 pm0 -121.4 150.08 42.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -139.59 146.87 40.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.0 m-20 -65.19 74.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 7.5 mtpt 166.09 -48.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 57.1 m-85 -156.46 148.53 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.521 HG22 ' HB2' ' A' ' 27' ' ' GLN . 35.1 t -105.81 145.94 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' CG ' HD22 ' A' ' 96' ' ' LEU . 14.5 ttpt -147.18 147.34 30.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.63 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -119.76 147.5 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.724 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -130.22 107.8 9.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.813 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -105.98 146.42 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -90.05 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.716 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -139.34 101.26 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.409 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -77.8 115.28 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 116.56 -23.12 10.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.4 p -57.27 -20.19 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.82 3.39 53.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -114.64 -17.0 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.63 HG11 ' O ' ' A' ' 64' ' ' ASN . 23.5 m -87.31 152.33 52.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.82 21.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -73.81 -3.54 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -85.17 -24.35 27.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.4 m120 -89.13 -16.56 31.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 13.4 t -105.2 101.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -110.53 110.08 20.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.22 139.33 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 15.8 t-160 -130.04 130.57 45.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.653 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.27 145.72 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.486 ' CA ' HG22 ' A' ' 83' ' ' VAL . 22.9 p -128.07 -170.3 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -76.3 -34.71 59.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.494 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -144.77 59.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.507 ' N ' HD12 ' A' ' 77' ' ' LEU . 2.9 p 165.12 176.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.39 127.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.644 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.6 p-10 -104.28 145.84 29.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.727 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -143.05 115.33 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.774 ' N ' HD13 ' A' ' 61' ' ' LEU . 71.4 t -142.12 112.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.7 165.03 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.63 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.5 t30 40.51 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.56 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -127.93 -130.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.43 71.49 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.5 20.85 68.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.86 -172.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.622 ' HB3' HG23 ' A' ' 17' ' ' THR . 63.1 m -128.81 156.89 42.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.6 ' CD2' HD21 ' A' ' 38' ' ' LEU . 20.8 m-85 -132.84 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.2 p -135.42 143.49 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.772 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -152.63 119.61 5.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.24 121.11 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 20.7 m-80 -115.76 127.35 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.8 m-20 83.54 98.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.631 HD21 HG21 ' A' ' 74' ' ' VAL . 80.9 mt -107.49 134.09 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.583 HD22 ' H ' ' A' ' 110' ' ' TYR . 6.1 tp -38.23 -48.3 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 19.8 mmtt -128.12 156.1 76.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.494 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.97 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 99' ' ' CYS . 1.1 pp -149.88 147.88 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -70.58 112.7 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.486 HG22 ' CA ' ' A' ' 54' ' ' THR . 29.1 t -56.89 -69.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -56.62 -16.19 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' HB2' ' A' ' 100' ' ' ARG . . . -92.1 -18.33 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' SER . 18.0 m -74.99 168.92 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.25 158.42 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.599 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.58 141.17 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.1 mtmt -137.17 158.38 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -135.41 138.69 47.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.452 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -116.77 -166.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 50.4 m -74.97 107.69 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 93.6 m-20 59.53 29.1 18.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 36' ' ' ILE . 9.0 m -152.54 139.93 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.727 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -105.13 129.26 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.724 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -99.48 146.21 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.532 HG21 ' CE1' ' A' ' 58' ' ' PHE . 17.8 mm -139.47 90.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 33' ' ' LYS . 1.5 mt -76.5 134.27 39.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.571 ' HB3' HG21 ' A' ' 81' ' ' ILE . 92.6 m -119.46 105.35 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.63 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -57.8 104.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.56 ' HA ' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -58.37 132.2 52.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.05 -39.35 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.68 118.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -63.89 168.48 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 62.46 53.3 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 m -139.13 127.74 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.17 148.27 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.8 m0 -117.24 102.84 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 84.0 m-20 -65.05 -18.61 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.583 ' H ' HD22 ' A' ' 78' ' ' LEU . 58.0 m-85 -161.84 148.26 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.573 HD13 HG23 ' A' ' 112' ' ' THR . 0.6 OUTLIER -52.0 -47.01 65.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.573 HG23 HD13 ' A' ' 111' ' ' LEU . 32.1 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.601 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.6 t -76.88 154.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.62 115.11 29.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.829 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.6 mt -72.93 90.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -75.44 -61.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.84 120.24 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 27.9 p90 -149.3 131.99 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.47 136.19 15.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.513 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 30.2 p-90 -143.18 144.96 32.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -132.38 -170.4 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 108' ' ' TRP . 3.7 pt20 -161.98 146.3 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -141.07 146.97 37.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 3.6 m-20 -63.37 77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 169.76 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.622 ' CE1' ' NH1' ' A' ' 100' ' ' ARG . 28.8 m-85 -156.55 166.46 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.7 t -109.46 143.87 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.709 ' HD2' HD13 ' A' ' 96' ' ' LEU . 9.7 ttpt -145.92 147.55 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.673 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -125.02 151.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.68 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -131.77 115.08 15.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.741 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -112.76 145.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 m -92.95 104.82 17.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.09 99.43 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.408 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -73.58 117.19 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 115.22 -24.06 10.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.2 p -58.12 -20.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -87.9 -11.64 47.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -99.14 -30.43 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 64' ' ' ASN . 28.2 m -71.83 154.31 92.83 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.3 t -75.2 -3.62 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.17 -26.01 23.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.438 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 61.8 m-20 -83.82 -19.35 35.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -106.98 112.28 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -120.79 114.7 22.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -130.07 133.64 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.389 1.056 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.419 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.6 t-160 -122.45 138.03 54.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 49.3 m-85 -106.95 148.57 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.472 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 60.4 p -132.08 -164.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.5 pt-20 -78.62 -37.88 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . 21.3 mmm-85 -144.17 65.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 4.1 p 160.59 164.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.82 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -159.38 127.76 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.715 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.5 p-10 -106.31 143.15 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -140.44 116.64 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.817 HD22 ' H ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -108.32 151.14 26.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.817 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.9 t -146.77 107.64 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.97 162.72 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.679 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.0 t-20 40.95 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.554 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -128.52 -132.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' N ' HD12 ' A' ' 65' ' ' LEU . 2.7 t30 -71.89 71.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.71 62.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 ptpt -164.84 -175.8 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.601 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.8 m -124.25 151.8 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.623 ' CD2' HD21 ' A' ' 38' ' ' LEU . 52.6 m-85 -131.03 148.43 52.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 56.5 p -134.91 142.49 46.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.829 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -150.79 121.09 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -137.9 144.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.82 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.61 121.48 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.3 m-80 -121.13 132.45 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.0 m-20 85.8 81.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.63 HD21 ' CG2' ' A' ' 74' ' ' VAL . 96.5 mt -95.61 131.99 41.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.591 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.2 tp -37.56 -51.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.5 mmtt -122.34 161.66 42.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.03 168.45 24.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -147.06 140.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 127.8 33.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 38.6 t -74.79 -68.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -48.45 -23.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.62 -30.49 9.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.519 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 4.4 m -59.05 161.28 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -160.68 157.31 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.41 ' CD ' ' C ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -118.02 133.6 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -122.65 156.76 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 95' ' ' VAL . 91.2 t -133.78 125.77 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.93 -169.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.4 m -72.17 115.52 11.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 76.7 m-20 54.23 20.19 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 36' ' ' ILE . 18.0 m -145.68 146.16 31.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.39 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 60' ' ' LEU . 6.7 p -116.95 127.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.709 HD13 ' HD2' ' A' ' 33' ' ' LYS . 5.4 mt -96.43 145.95 25.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' A' ' 60' ' ' LEU . 24.5 mm -128.61 87.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.515 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.44 116.65 16.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 37.0 m -119.57 113.56 20.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.676 ' O ' HG22 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -61.07 150.12 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.701 ' HZ1' ' HE1' ' A' ' 108' ' ' TRP . 2.1 mttm -103.01 130.71 50.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -69.9 -21.32 63.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.0 117.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -73.61 165.85 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 70.11 48.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.491 ' HB ' ' HZ2' ' A' ' 101' ' ' LYS . 1.2 m -139.88 145.37 37.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.01 135.78 53.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.701 ' HE1' ' HZ1' ' A' ' 101' ' ' LYS . 19.8 m0 -97.88 103.76 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 108.047 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 1.9 m-20 -62.97 -21.26 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.591 ' H ' HD22 ' A' ' 78' ' ' LEU . 72.8 m-85 -157.12 128.74 7.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.513 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -38.63 -42.4 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.538 HG22 HD23 ' A' ' 77' ' ' LEU . 11.5 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.665 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 35.8 t -76.27 151.06 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -102.59 114.25 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.894 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.6 mt -73.3 84.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -44.42 45.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.17 119.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 33.7 p90 -149.78 137.55 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.53 126.38 8.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 19.8 p-90 -129.25 150.37 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -162.92 130.85 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.5 pp0? -143.61 164.31 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -140.78 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.87 83.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER 172.8 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CE1' ' HD3' ' A' ' 100' ' ' ARG . 63.9 m-85 -152.17 169.05 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.468 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 17.1 t -116.93 136.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -146.67 140.66 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.672 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -119.25 148.48 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.808 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -130.24 106.64 8.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -103.76 147.81 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -94.49 103.03 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.822 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -133.74 102.71 5.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.79 113.68 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 118.26 -22.34 9.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 38' ' ' LEU . 15.0 p -55.65 -29.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -111.31 -25.66 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.707 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.5 m -83.66 151.86 62.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 174.5 12.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.6 t -76.71 -3.62 38.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -23.3 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -92.99 -11.26 33.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 88' ' ' LYS . 4.3 t -109.27 111.1 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.2 tp60 -121.87 106.85 11.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -124.81 133.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.426 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -125.11 128.87 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 15.7 m-85 -98.39 147.36 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 57' ' ' SER . 11.4 p -129.52 -164.95 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -75.79 -41.0 54.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.6 54.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.673 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.9 173.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.768 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.74 127.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.3 p-10 -105.32 153.52 21.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.83 114.24 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -100.27 148.48 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG1' HD22 ' A' ' 65' ' ' LEU . 65.3 t -147.28 101.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -105.53 163.7 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.707 ' O ' HG11 ' A' ' 44' ' ' VAL . 16.3 t-20 40.21 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.557 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -127.58 -126.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.82 73.82 5.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.22 20.03 62.49 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -167.19 -173.15 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.665 ' HB3' HG23 ' A' ' 17' ' ' THR . 70.4 m -125.67 155.73 40.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.2 m-85 -131.77 151.55 51.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 18.0 p -137.82 139.82 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.894 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -147.53 118.54 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.4 HD13 ' HB3' ' A' ' 59' ' ' ASP . 6.6 mt -135.75 145.71 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.768 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.07 122.29 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 10.5 m120 -119.51 129.4 54.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.1 m-20 83.22 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.716 HD21 ' CG2' ' A' ' 74' ' ' VAL . 56.2 mt -98.65 132.11 44.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.3 tp -38.54 -46.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 8.5 mmtt -128.77 160.21 64.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.476 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 165.73 30.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 0.9 OUTLIER -140.64 143.02 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 99.02 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 53.8 t -41.85 -54.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' VAL . 36.9 mt-10 -39.07 -52.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 100' ' ' ARG . . . -75.28 -33.08 54.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.523 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 19.1 m -48.53 111.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.447 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -128.81 170.78 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.58 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -130.44 141.35 50.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 96' ' ' LEU . 7.4 mtmt -133.85 165.24 25.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.24 123.8 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -113.96 168.04 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 91.7 m -45.36 116.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 92' ' ' THR . 4.3 p30 45.46 39.47 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 36' ' ' ILE . 54.7 m -158.85 147.86 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.677 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -118.92 120.23 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.808 HD21 ' CD2' ' A' ' 35' ' ' TYR . 2.5 mt -93.14 142.44 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 58' ' ' PHE . 11.5 mm -132.18 90.94 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.02 123.62 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 81' ' ' ILE . 14.1 m -120.76 111.5 17.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -57.49 146.62 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.36 127.52 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -66.86 -32.98 74.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.29 117.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.08 -179.94 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.28 39.98 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.4 m -133.5 100.53 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.84 151.52 47.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.8 m0 -117.2 97.65 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.0 m-20 -68.44 -11.48 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 77.3 m-85 -162.22 152.38 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.462 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -67.51 -35.12 78.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 9.9 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m 66.45 95.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -171.8 125.99 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.14 161.29 21.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 175.99 135.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.27 159.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.26 112.7 0.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.83 151.41 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.2 m -79.26 145.39 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.51 120.19 21.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.53 ' O ' HG23 ' A' ' 13' ' ' THR . 18.5 Cg_endo -75.0 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.3 105.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 11' ' ' PRO . 73.2 p -125.9 115.4 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' THR . 13.9 p 38.61 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.28 -75.21 0.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -66.59 157.84 31.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 110.982 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -135.73 148.05 48.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.3 t -75.74 149.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.14 116.89 33.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 72' ' ' MET . 30.7 mt -76.45 94.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.53 -57.49 3.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.02 119.91 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 33.7 p90 -149.31 130.94 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -80.57 138.26 19.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.58 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.7 p-90 -144.28 149.16 35.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -144.55 152.36 40.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.58 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -133.73 145.16 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 152.76 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 34.3 m-20 -64.25 78.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 170.53 -54.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 50.3 m-85 -156.02 169.85 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.38 141.62 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' CG ' HD22 ' A' ' 96' ' ' LEU . 17.5 ttpt -145.72 143.45 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.643 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -118.37 150.63 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.775 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -134.24 112.28 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -111.09 148.54 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -92.42 104.2 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.754 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.8 103.37 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.52 108.98 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 123.5 -21.9 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.4 p -59.15 -21.96 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -89.74 2.49 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -113.34 -27.56 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.628 HG11 ' O ' ' A' ' 64' ' ' ASN . 23.5 m -76.22 152.98 84.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -73.75 -3.81 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 3.9 pt-20 -85.09 -25.71 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 86.5 m-20 -89.03 -10.88 45.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.4 t -111.08 104.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -116.43 113.18 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.27 138.65 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.413 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 55.9 t60 -128.07 132.13 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.647 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.472 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 20.3 m-85 -100.43 147.82 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 57' ' ' SER . 10.1 p -129.53 -165.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 1.4 pt-20 -77.21 -39.5 48.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 10.9 mmm-85 -142.5 54.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.677 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.03 174.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.829 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.53 127.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.646 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.2 p-10 -105.94 145.57 31.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.618 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.91 115.83 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.8 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -108.59 149.49 28.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.8 ' H ' HD22 ' A' ' 61' ' ' LEU . 93.1 t -144.32 112.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.7 163.45 13.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.628 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.0 t-20 41.0 90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.4 -130.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.37 73.71 4.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 21.36 68.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.529 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -171.69 -179.65 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.59 ' HB3' HG23 ' A' ' 17' ' ' THR . 60.7 m -121.28 153.13 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 34.5 m-85 -128.42 151.16 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 60.1 p -136.74 143.77 43.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.628 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.5 ttm -151.11 119.37 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.47 144.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.829 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.87 120.7 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 67.3 m-80 -115.83 126.57 54.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.7 m-20 84.19 97.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 74' ' ' VAL . 65.6 mt -107.56 133.89 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 116' ' ' LYS . 10.3 tp -39.19 -50.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 20.2 mmtt -124.44 158.68 60.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.489 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.97 167.04 27.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -144.09 159.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -91.3 121.14 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG22 ' C ' ' A' ' 53' ' ' PHE . 55.3 t -67.08 -68.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.36 -40.65 2.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.2 -31.95 40.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.9 m -57.09 141.69 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -144.02 159.03 43.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.541 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -122.34 143.22 49.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -134.85 164.45 27.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.55 126.39 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 3.5 ptpt -111.09 176.78 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.2 m -55.23 119.04 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 44.79 33.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.4 m -154.86 144.92 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.618 HG21 HD11 ' A' ' 60' ' ' LEU . 7.1 p -113.42 130.37 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.775 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -103.83 145.09 30.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' ' 96' ' ' LEU . 15.0 mm -135.86 90.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' SER . 4.3 mt -76.32 120.87 22.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -119.96 112.61 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.8 mmp_? -57.37 148.06 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -95.3 115.76 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -58.88 -26.02 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -149.88 112.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -67.46 174.22 3.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 57.06 58.21 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.491 HG21 ' HD2' ' A' ' 79' ' ' LYS . 1.4 m -147.18 146.99 30.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.24 147.68 29.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.581 ' HA ' HD23 ' A' ' 78' ' ' LEU . 14.0 m0 -115.37 100.5 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.3 m-20 -66.79 -18.36 65.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 61.8 m-85 -162.58 133.65 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -41.89 -46.12 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.432 HG22 HD23 ' A' ' 77' ' ' LEU . 23.6 p -123.47 170.72 10.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.522 ' HG2' HD12 ' A' ' 78' ' ' LEU . 15.9 mt-30 -76.02 -40.5 53.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' GLN . 34.1 t -40.01 -63.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -46.77 -51.32 16.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.639 ' HD3' HD11 ' A' ' 78' ' ' LEU . 4.4 tttt -52.09 -69.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' LYS . 9.2 mm-40 -38.29 -62.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -58.85 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -57.2 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -94.09 84.28 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.3 p -90.8 86.21 6.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.959 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -146.08 -170.5 14.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 63.88 5.97 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 t -64.92 -59.11 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.951 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 m -73.45 138.98 45.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -165.9 97.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.26 163.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.38 136.18 3.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 111.069 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.34 98.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 0.791 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -171.0 155.42 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.93 102.5 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.1 t -130.91 132.61 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -128.95 137.68 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.35 100.1 16.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.02 176.36 10.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pp -64.78 119.63 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 11' ' ' PRO . 58.6 p -120.14 119.63 33.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.41 HG23 ' C ' ' A' ' 13' ' ' THR . 2.2 p 56.42 18.06 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.09 117.74 5.38 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.496 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 5.2 p90 -129.15 157.27 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -82.81 147.63 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' SER . 30.8 t -76.27 151.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 115.17 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.831 HD12 ' HB2' ' A' ' 72' ' ' MET . 19.3 mt -72.63 109.5 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -65.41 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.02 120.06 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.642 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 22.7 p90 -148.46 133.68 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.592 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -83.8 136.63 15.12 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.572 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 36.7 p-90 -143.87 144.42 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.82 168.93 18.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.572 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.2 pm0 -147.72 144.63 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.28 151.73 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -64.38 77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER 171.26 -54.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 51.3 m-85 -155.48 166.86 32.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.79 141.69 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.1 ttpt -145.95 148.89 33.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -122.19 149.69 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.762 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -133.39 104.04 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -101.35 147.26 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -92.58 103.75 16.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.813 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.34 99.4 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.75 111.82 10.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.37 -24.18 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 38' ' ' LEU . 12.0 p -57.06 -20.03 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -89.47 -4.13 58.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -103.19 -22.8 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.1 m -82.29 151.65 66.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -74.43 -3.87 33.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.4 -23.42 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 78.6 m-20 -93.63 -21.67 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.52 92.25 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.36 110.59 22.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.47 137.43 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.406 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 74.4 t60 -125.74 135.81 52.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 28.9 m-85 -103.95 144.75 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 57' ' ' SER . 25.1 p -127.83 -164.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -77.11 -41.71 40.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 3.5 mmm180 -141.3 54.78 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.68 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 175.6 172.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.39 127.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.1 p-10 -106.07 148.49 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.832 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.49 114.31 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.841 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.52 150.35 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.841 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.4 t -145.58 106.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -101.54 163.81 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.525 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.0 t-20 40.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.656 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -121.3 -122.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.42 76.96 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.27 19.06 68.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -169.71 -169.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.566 ' HB2' HG23 ' A' ' 17' ' ' THR . 32.2 p -133.23 152.2 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.581 ' CD2' HD21 ' A' ' 38' ' ' LEU . 7.0 m-85 -129.58 148.54 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' VAL . 28.0 p -134.82 140.06 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.831 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -144.88 120.42 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.31 145.02 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.03 123.11 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 35.0 m-80 -120.33 129.08 53.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.1 m-20 84.61 86.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' A' ' 74' ' ' VAL . 57.3 mt -97.76 132.46 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.626 HD22 ' H ' ' A' ' 110' ' ' TYR . 8.4 tp -39.9 -49.1 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.6 mmtt -123.66 159.02 57.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.96 167.26 27.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.691 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -150.43 141.22 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 142.18 50.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 ' C ' ' A' ' 53' ' ' PHE . 40.4 t -87.41 -68.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -49.06 -23.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.94 -29.51 11.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.5 m -62.95 162.02 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -155.74 160.18 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.23 141.04 51.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.5 mtmt -139.06 160.69 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 95' ' ' VAL . 88.3 t -134.58 128.09 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -108.15 177.13 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.1 m -59.32 118.28 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 49.03 32.96 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.8 m -157.6 142.56 16.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.832 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -109.97 129.4 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.2 mt -100.69 147.66 25.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 96' ' ' LEU . 13.7 mm -137.05 90.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 5.6 mt -77.01 120.14 21.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.1 113.75 20.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.691 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.7 mmp_? -58.56 148.56 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -100.02 117.94 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -58.01 -29.18 65.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.39 118.46 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.44 -179.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 49.77 56.97 7.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.531 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.7 m -140.75 146.69 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.24 155.85 18.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.8 m0 -124.61 97.94 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -67.7 -15.78 63.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.626 ' H ' HD22 ' A' ' 78' ' ' LEU . 69.7 m-85 -162.43 151.18 14.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -64.03 -36.15 83.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.507 HG23 HD13 ' A' ' 111' ' ' LEU . 19.3 p -133.1 173.44 11.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -79.4 -26.28 41.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.41 -51.52 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 17.3 tt0 -52.81 -23.29 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -78.83 -50.93 10.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -67.73 -33.47 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.0 m -70.52 -49.82 44.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -56.27 -63.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -101.56 91.85 4.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -55.73 99.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t -115.57 168.51 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -126.93 148.4 17.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.443 1.76 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.51 86.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.93 116.57 11.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 61.56 145.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.769 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -175.16 156.46 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.75 -115.2 0.31 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t 65.03 143.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.029 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.85 160.61 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.38 141.51 5.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -122.32 122.28 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.12 153.17 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.17 102.59 36.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.02 3.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.5 pt -69.94 161.32 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.5 ' O ' ' C ' ' A' ' 14' ' ' THR . 70.3 p -109.14 132.51 54.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -30.91 -48.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.446 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.95 -110.61 0.49 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -166.4 175.67 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.591 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -103.18 147.73 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' SER . 25.7 t -76.46 151.11 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.95 118.04 35.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.799 HD12 ' HB2' ' A' ' 72' ' ' MET . 25.1 mt -77.88 96.66 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -80.81 -63.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.39 120.35 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 31.9 p90 -149.2 127.25 11.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -74.6 139.53 25.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 42.2 p-90 -148.01 144.15 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -139.05 174.81 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' OE1' ' N ' ' A' ' 27' ' ' GLN . 13.1 pm0 -152.63 144.67 23.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 74.9 m -140.17 154.68 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 43.9 m-20 -64.53 77.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 3.2 mtmt 170.22 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 49.3 m-85 -156.21 168.04 28.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.5 t -121.41 143.82 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 5.7 ptmt -145.78 158.02 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.835 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.7 mp -127.17 145.61 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -124.26 112.56 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.751 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -111.42 145.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 m -90.87 104.76 17.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.88 99.57 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -73.27 123.54 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 106.54 -22.51 30.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.6 p -56.33 -23.97 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.53 1.18 50.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.58 -37.53 4.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.4 m -65.16 153.12 90.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 169.8 21.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 -3.77 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -83.37 -24.95 31.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.43 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 15.9 m-20 -89.82 -21.14 22.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.06 97.96 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -112.27 113.8 26.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.06 137.21 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 59.3 t60 -125.41 136.82 53.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 31.0 m-85 -104.91 145.91 29.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.498 ' CA ' HG22 ' A' ' 83' ' ' VAL . 20.1 p -128.46 -164.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.7 pt-20 -77.52 -41.22 39.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' SER . 12.5 mmm-85 -141.57 55.21 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.736 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.1 p 175.01 173.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.831 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.7 127.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.546 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.0 p-10 -107.14 144.41 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.753 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -140.37 114.16 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.813 HD13 ' N ' ' A' ' 62' ' ' VAL . 1.5 tm? -105.62 149.41 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.813 ' N ' HD13 ' A' ' 61' ' ' LEU . 92.1 t -146.74 113.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.658 ' HE3' HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -113.31 159.33 19.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.668 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.9 OUTLIER 44.66 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -129.99 -135.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.419 ' N ' HD12 ' A' ' 65' ' ' LEU . 2.7 t30 -70.88 70.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.01 20.1 68.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -169.17 175.82 5.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.591 ' HB2' HG23 ' A' ' 17' ' ' THR . 23.6 p -118.05 154.83 31.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.636 ' CG ' HD21 ' A' ' 38' ' ' LEU . 29.8 m-85 -130.93 151.08 51.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' VAL . 66.6 p -134.89 143.67 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.799 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -152.2 120.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 mt -138.55 143.57 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.831 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.9 119.16 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 11.4 m120 -113.61 127.32 56.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.1 m-20 83.14 98.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.736 HD12 ' N ' ' A' ' 57' ' ' SER . 53.6 mt -105.83 133.7 50.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.621 HD11 ' HD3' ' A' ' 116' ' ' LYS . 11.7 tp -40.25 -48.77 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 13.5 mmtt -122.94 159.05 55.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.442 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.54 28.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -149.43 143.55 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 134.44 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.498 HG22 ' CA ' ' A' ' 54' ' ' THR . 49.9 t -80.22 -68.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.05 -20.33 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.91 -31.3 8.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.2 m -62.24 155.24 25.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.433 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -148.79 162.35 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.489 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.07 134.29 54.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mtmm -130.03 161.35 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.4 t -135.02 133.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.32 -172.85 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -67.09 107.87 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 58.78 26.52 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 m -147.32 148.76 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 60' ' ' LEU . 6.2 p -117.35 121.15 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -95.92 132.54 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.519 HD11 ' CD1' ' A' ' 60' ' ' LEU . 15.9 mm -117.95 90.39 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 33' ' ' LYS . 29.4 mt -73.42 121.77 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.1 m -120.35 113.95 21.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.6 mmp_? -59.65 148.19 34.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -99.94 123.77 44.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -70.41 -26.66 63.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.4 t -140.88 127.66 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -74.0 177.2 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 42.34 56.23 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.527 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.6 m -132.24 132.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.83 146.49 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.531 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.5 m0 -112.82 103.75 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 107.987 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 3.1 m-20 -65.02 -21.72 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.595 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -160.71 147.6 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.9 OUTLIER -50.25 -45.34 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.49 HG23 HD13 ' A' ' 111' ' ' LEU . 36.9 p -127.53 -179.92 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.544 ' HG2' HD12 ' A' ' 78' ' ' LEU . 5.9 mt-30 -81.77 -36.09 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.02 -64.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -44.86 -46.58 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.621 ' HD3' HD11 ' A' ' 78' ' ' LEU . 12.9 tttt -55.09 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' LYS . 4.4 mm-40 -38.64 -64.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.72 -55.65 13.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.47 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -46.82 -59.45 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -99.52 79.38 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -71.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.5 130.09 22.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -177.28 96.27 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 130.57 13.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.4 t 58.95 96.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 t -91.69 112.23 24.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -179.02 160.68 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.958 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -175.07 139.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.54 -137.97 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -116.54 -59.04 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.93 80.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.162 . . . . 0.0 109.959 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.98 145.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -130.12 139.58 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 p -106.07 132.26 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.19 120.6 19.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.06 -179.98 5.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.74 101.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 11' ' ' PRO . 74.6 p -125.9 115.34 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 p 41.33 -153.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.93 -44.07 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.515 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -171.76 170.95 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 111.038 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.536 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -139.17 147.17 41.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.508 HG21 ' HE2' ' A' ' 68' ' ' LYS . 39.9 t -76.72 154.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -106.26 118.94 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.841 HD12 ' HB2' ' A' ' 72' ' ' MET . 33.2 mt -76.38 108.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 69.7 m -90.8 -62.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.85 119.83 24.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 29.0 p90 -149.47 128.14 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.6 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -78.46 140.49 23.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.594 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.3 p-90 -144.43 148.33 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -144.83 146.44 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.594 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -128.64 144.59 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 m -140.37 152.15 45.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 77.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 171.28 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 52.6 m-85 -155.74 166.14 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.21 142.0 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 18.8 ttpt -145.78 149.85 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.629 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -124.11 148.43 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.76 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -133.42 106.37 7.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 94' ' ' THR . 2.9 mp -103.9 147.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -93.31 104.82 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.436 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD12 HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -136.87 102.19 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.83 108.25 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.03 -25.49 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.8 p -56.99 -20.36 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -89.73 1.79 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -108.79 -19.69 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 64' ' ' ASN . 24.4 m -85.97 152.05 55.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.36 20.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -74.16 -3.75 31.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.7 pt-20 -83.68 -24.72 31.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 70.1 m-20 -89.66 -25.21 21.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 46.3 t -96.05 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -115.96 111.37 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.31 131.15 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.8 t-160 -120.59 132.68 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.4 m-85 -101.01 147.13 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 57' ' ' SER . 24.8 p -129.84 -164.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.1 pt-20 -77.02 -42.36 38.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 13.2 mmm-85 -140.39 54.98 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.764 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 176.03 170.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.84 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -167.62 127.41 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.1 p-10 -107.2 148.9 28.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.821 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.11 114.71 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.84 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -109.52 150.66 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.84 ' H ' HD22 ' A' ' 61' ' ' LEU . 62.5 t -145.15 104.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.63 162.23 13.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.544 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.1 t-20 39.06 89.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.725 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -118.4 -115.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -98.3 79.29 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.92 15.31 64.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -168.64 -169.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.536 ' CB ' HG23 ' A' ' 17' ' ' THR . 50.0 m -131.22 153.63 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.531 ' CD2' HD21 ' A' ' 38' ' ' LEU . 9.3 m-85 -129.17 149.66 50.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.9 p -136.07 142.68 44.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.841 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -148.96 118.19 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -133.75 145.17 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.84 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.7 122.9 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 27.0 m120 -119.75 133.22 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.6 m-20 81.65 83.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 57' ' ' SER . 61.3 mt -92.6 129.41 38.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 113' ' ' GLN . 5.0 tp -37.75 -46.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.7 mmtt -127.41 160.21 61.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.14 31.9 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.32 145.82 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -78.26 130.89 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.986 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' SER . 49.2 t -78.33 -68.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.52 -25.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.48 -30.5 9.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.6 m -62.13 150.32 38.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -144.7 162.6 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.16 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -139.33 159.41 42.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.495 HG22 HG23 ' A' ' 95' ' ' VAL . 47.5 t -134.74 126.37 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -107.34 177.55 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.5 m -58.31 121.94 12.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 44.9 29.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 36' ' ' ILE . 23.4 m -153.07 142.04 21.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 60' ' ' LEU . 6.4 p -110.96 130.21 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.76 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -101.92 147.56 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' A' ' 60' ' ' LEU . 14.7 mm -136.49 89.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.474 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.92 118.67 18.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 14.9 m -120.12 112.04 18.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.679 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.1 mmp_? -57.73 148.79 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' CE ' ' NE1' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -99.9 121.91 42.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -67.66 -26.42 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -140.74 124.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.14 178.33 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 40.39 58.23 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.492 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.3 m -135.49 126.48 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 151.54 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.0 m0 -120.74 98.04 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 61.2 m-20 -63.94 -19.09 64.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.637 ' H ' HD22 ' A' ' 78' ' ' LEU . 88.9 m-85 -158.54 138.55 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.557 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -49.18 -36.18 18.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.426 ' HB ' HG12 ' A' ' 114' ' ' VAL . 9.1 p -124.44 157.32 35.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.791 ' HA ' HD12 ' A' ' 78' ' ' LEU . 24.8 tt0 -70.18 -36.97 75.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.57 HG13 ' H ' ' A' ' 115' ' ' GLU . 5.0 p -48.04 -58.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.57 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -38.94 -58.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.483 ' HA ' ' CE2' ' A' ' 110' ' ' TYR . 17.4 ttpt -40.53 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' LYS . 5.1 mm-40 -37.97 -63.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 6.2 t -47.15 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.527 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 3.1 mmpt? -43.58 -61.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -45.59 -61.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -46.0 143.99 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.1 t -120.45 100.36 7.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -76.02 -174.79 37.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -49.66 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.0 m -109.87 160.28 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.8 m -53.5 110.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 55.44 101.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -139.3 142.7 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.01 176.18 42.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.74 84.52 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.0 158.18 0.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.69 97.28 0.14 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.08 136.62 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.25 143.92 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.24 115.35 17.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 88.75 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.84 155.91 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 14' ' ' THR . 29.8 p -124.3 132.87 53.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -35.58 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.42 143.63 3.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.538 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -175.52 173.44 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -137.74 146.96 44.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.516 HG21 ' HE2' ' A' ' 68' ' ' LYS . 50.5 t -77.11 155.08 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.04 125.1 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.887 HD12 ' HB2' ' A' ' 72' ' ' MET . 32.0 mt -82.88 95.16 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -79.67 -59.89 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.13 119.99 26.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 29.0 p90 -149.43 130.9 14.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.32 138.75 18.9 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.563 1.165 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 40.6 p-90 -144.72 147.38 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -144.96 147.63 32.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.578 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 19.7 pm0 -124.88 147.78 48.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.14 151.21 45.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.8 m-20 -63.89 79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 8.9 mttt 168.9 -54.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.3 m-85 -155.71 168.09 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -114.31 140.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.607 ' CG ' HD22 ' A' ' 96' ' ' LEU . 12.1 ttpt -144.82 145.61 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.615 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.6 mp -119.82 151.57 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.785 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -135.33 109.12 8.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.757 ' O ' HG23 ' A' ' 94' ' ' THR . 3.2 mp -108.2 153.32 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -96.93 104.38 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.726 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -136.6 100.43 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -72.67 123.39 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 107.44 -22.8 28.08 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -58.15 -18.09 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -92.38 -5.02 52.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -107.31 -26.12 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.7 m -72.23 155.29 91.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.23 23.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.33 -4.61 40.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -86.57 -26.87 24.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 76.3 m-20 -86.11 -15.21 41.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -109.29 97.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.91 113.81 26.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.0 135.64 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.425 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 67.5 t60 -123.99 134.56 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 51.7 m-85 -103.86 147.43 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.459 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 34.3 p -129.22 -164.84 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 3.6 pt-20 -78.21 -39.79 39.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.73 60.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.614 ' N ' HD12 ' A' ' 77' ' ' LEU . 4.0 p 166.21 172.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.787 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -167.21 127.97 1.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 5.0 p-10 -106.71 139.58 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.747 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -136.04 113.61 10.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.865 HD22 ' H ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -103.9 149.22 25.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.865 ' H ' HD22 ' A' ' 61' ' ' LEU . 94.0 t -147.15 112.39 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -110.78 167.08 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.501 ' O ' HG11 ' A' ' 44' ' ' VAL . 1.7 t-20 38.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.539 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -125.95 -130.68 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.46 72.44 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.87 19.97 66.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -166.94 -176.18 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.6 ' HB3' HG23 ' A' ' 17' ' ' THR . 50.7 m -125.88 151.49 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.953 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.676 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.4 m-85 -130.6 147.95 52.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.5 p -133.44 141.57 47.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.887 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.1 ttt -148.35 118.99 7.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.9 mt -136.19 144.86 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.787 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.05 121.65 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 34.0 m-20 -117.21 129.12 55.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.4 m-20 82.24 93.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.768 HD21 ' CG2' ' A' ' 74' ' ' VAL . 39.7 mt -104.46 134.99 46.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD11 ' HE3' ' A' ' 116' ' ' LYS . 10.3 tp -38.89 -47.88 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 15.8 mmtt -124.91 158.62 62.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.478 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.32 29.41 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.794 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.93 138.95 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 131.44 44.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 45.8 t -76.64 -67.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.44 -22.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.77 -31.01 8.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.523 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.8 m -60.26 158.08 12.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.465 ' O ' ' CZ ' ' A' ' 53' ' ' PHE . 1.1 m -153.23 162.48 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -125.48 137.72 53.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -134.46 162.47 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 95' ' ' VAL . 31.2 t -135.04 136.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.33 -178.36 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -59.35 118.77 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.5 p30 45.03 32.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 36' ' ' ILE . 29.1 m -153.28 144.69 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 60' ' ' LEU . 6.9 p -113.91 128.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.785 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -99.3 145.23 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 60' ' ' LEU . 21.7 mm -133.67 90.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.422 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.0 mt -77.11 119.34 20.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.7 m -119.0 110.44 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 108.331 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.696 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.8 mmp_? -58.57 148.49 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -98.56 135.25 40.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -73.8 -24.47 59.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.98 118.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.45 175.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 53.55 54.63 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.525 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.8 m -138.07 129.67 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.43 155.11 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.357 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.0 m0 -123.84 96.94 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 33.2 m-20 -64.14 -19.19 65.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 89.1 m-85 -162.79 141.96 8.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.494 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -50.21 -42.11 50.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.6 p -126.38 173.9 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.512 ' HG2' HD12 ' A' ' 78' ' ' LEU . 21.2 mt-30 -79.85 -34.03 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.2 t -49.52 -63.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -43.63 -52.56 6.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.531 ' HE3' HD11 ' A' ' 78' ' ' LEU . 4.3 ttmm -45.35 -63.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -54.19 -59.29 4.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.4 t -42.7 -58.67 2.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 108.318 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 3.5 mmmt -48.12 -63.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -83.14 85.31 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.27 -63.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.5 t -148.4 104.67 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.85 124.95 4.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 88.09 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.95 142.49 41.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.1 p -92.37 113.83 26.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.19 -58.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.43 82.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.26 157.9 9.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.99 148.28 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 -58.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.81 171.21 13.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.7 127.37 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -132.05 148.83 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.23 109.36 54.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 96.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.782 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.5 139.43 21.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.434 ' C ' ' CG2' ' A' ' 14' ' ' THR . 10.8 p -113.75 93.31 4.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.434 ' CG2' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER 39.05 82.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 39.84 -100.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -146.72 173.0 12.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -81.08 146.08 30.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -77.16 155.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.47 123.25 47.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.873 HD12 ' HB2' ' A' ' 72' ' ' MET . 28.9 mt -82.57 82.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.8 t -74.84 -37.1 62.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -104.38 120.2 40.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 38.2 p90 -149.5 138.05 20.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.15 128.47 9.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 27.6 p-90 -129.35 148.81 51.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -161.41 132.65 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 3.9 pp0? -140.93 167.79 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -140.0 172.09 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.91 77.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.1 mtmp? 176.66 -55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.5 m-85 -151.15 170.97 18.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 48.7 t -120.35 137.07 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' CG ' HD22 ' A' ' 96' ' ' LEU . 18.8 ttpt -146.88 148.31 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.673 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -123.59 149.45 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.81 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -131.19 105.5 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -102.71 146.42 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.44 101.25 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.806 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -131.59 107.25 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -78.26 121.21 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 108.86 -21.7 27.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.806 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.7 p -56.75 -21.29 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -90.38 1.42 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.622 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -113.75 -21.81 10.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.4 m -81.0 154.17 72.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.436 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.03 168.5 24.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -75.02 -4.68 39.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.66 -25.17 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.436 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 69.8 m-20 -85.0 -14.78 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.436 HG11 ' CE ' ' A' ' 88' ' ' LYS . 21.8 t -106.94 108.54 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -117.18 113.58 22.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -131.61 136.76 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.7 t-160 -124.83 135.59 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.49 ' C ' HG22 ' A' ' 83' ' ' VAL . 28.9 m-85 -102.03 146.31 28.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 57' ' ' SER . 2.5 p -128.73 -166.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -79.88 -36.89 35.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 15.8 mmm-85 -143.93 52.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.688 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.1 p 176.29 175.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.854 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.03 127.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 p-10 -105.86 145.41 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.757 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.64 116.78 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.791 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -110.42 148.34 32.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.764 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.7 t -142.19 109.4 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -105.46 159.88 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.657 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.4 t-20 44.27 94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.544 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -131.7 -136.15 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 65' ' ' LEU . 2.7 t30 -69.53 70.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . 65.34 20.63 67.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.495 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -169.29 177.5 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.65 ' HB2' HG23 ' A' ' 17' ' ' THR . 6.8 p -118.78 154.8 32.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.586 ' CG ' HD21 ' A' ' 38' ' ' LEU . 30.6 m-85 -132.0 145.86 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.7 p -130.15 142.26 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.873 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -149.3 122.21 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -137.33 145.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.854 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.06 122.4 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 10.3 m120 -116.72 127.12 54.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 83.06 96.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.701 HD21 HG21 ' A' ' 74' ' ' VAL . 43.6 mt -104.5 135.46 45.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.834 HD11 ' HD3' ' A' ' 116' ' ' LYS . 11.3 tp -38.91 -48.76 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.6 mmtt -128.07 159.96 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.486 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.5 Cg_endo -74.94 167.41 27.13 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.0 154.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -89.19 104.47 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.49 HG22 ' C ' ' A' ' 53' ' ' PHE . 35.8 t -49.7 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' VAL . 38.8 mt-10 -38.76 -51.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.38 -33.53 72.96 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' SER . 14.7 m -50.06 151.25 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -156.04 158.6 38.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.59 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -120.4 142.55 49.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -136.92 163.23 31.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.4 t -135.44 139.03 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.7 -172.62 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.9 m -65.84 106.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 56.28 36.39 27.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 36' ' ' ILE . 18.9 m -156.73 140.69 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.757 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -108.24 125.36 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.4 mt -98.2 141.6 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 60' ' ' LEU . 16.9 mm -129.5 91.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.7 mt -78.01 118.22 20.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.433 ' HB3' HG21 ' A' ' 81' ' ' ILE . 2.1 m -119.64 108.04 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.706 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.5 mmp_? -57.29 147.59 25.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -90.24 130.19 36.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.486 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -70.01 -26.32 64.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 103' ' ' VAL . 1.7 m -150.19 111.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.13 -179.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 44.53 65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.426 HG21 ' HD2' ' A' ' 79' ' ' LYS . 1.3 m -159.09 98.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 149.62 49.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.567 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.0 m0 -111.0 92.88 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.961 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.412 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 76.6 m-20 -54.66 -23.63 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.617 ' H ' HD22 ' A' ' 78' ' ' LEU . 72.1 m-85 -157.06 149.96 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -55.77 -53.53 55.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.564 HG22 HD23 ' A' ' 77' ' ' LEU . 25.3 p -120.16 169.64 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.428 ' HG2' HD12 ' A' ' 78' ' ' LEU . 10.9 mt-30 -68.93 -43.48 75.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 55.1 t -40.33 -64.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -42.21 -55.83 3.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.834 ' HD3' HD11 ' A' ' 78' ' ' LEU . 12.3 ttpt -48.46 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.27 -55.68 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.83 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.477 ' CE ' ' HA ' ' A' ' 119' ' ' LYS . 3.0 mmpt? -44.59 -51.87 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.74 -147.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -62.63 145.42 54.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.8 p -152.9 173.82 14.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -93.95 -159.72 34.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.92 3.03 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.549 1.815 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.1 163.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.6 p -100.89 105.01 16.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 m -84.94 154.79 21.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.988 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.73 -58.96 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.47 -63.27 0.62 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 m 57.96 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 110.037 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -134.72 -62.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.52 167.69 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -131.75 113.53 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 p -135.01 132.97 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.98 123.86 37.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.95 11.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pt -65.3 160.35 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.3 p -125.73 114.76 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.5 p 41.55 -158.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.18 129.01 3.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.497 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -174.45 171.18 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.451 HG23 ' OG ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -133.7 147.41 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.7 t -76.25 155.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.25 123.85 48.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.875 HD12 ' HB2' ' A' ' 72' ' ' MET . 32.5 mt -83.92 91.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -78.27 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.58 119.55 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 25.1 p90 -149.55 132.58 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.67 135.2 13.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 46.9 p-90 -141.99 148.3 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.473 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -144.94 150.88 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.532 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -129.74 145.63 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -139.99 151.02 45.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 69.0 m-20 -63.69 78.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 169.94 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 54.5 m-85 -156.07 165.78 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.52 142.01 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 22.5 ttpt -145.55 149.2 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.634 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -124.79 147.82 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.765 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -131.13 108.48 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.778 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -106.43 147.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.87 103.86 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.68 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -134.96 99.7 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.3 110.91 10.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 122.86 -25.19 6.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.8 p -56.87 -23.94 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -88.0 2.77 50.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -113.6 -25.83 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.723 HG11 ' O ' ' A' ' 64' ' ' ASN . 27.6 m -78.17 154.24 79.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 168.96 23.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.9 t -74.06 -3.67 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.73 -13.28 48.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 32.7 m-20 -104.76 2.13 29.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.95 101.66 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.69 114.71 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -134.42 139.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-160 -129.92 133.58 46.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.651 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 18.7 m-85 -101.38 146.11 28.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 57' ' ' SER . 12.2 p -128.19 -166.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.2 pt-20 -74.86 -41.79 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 57' ' ' SER . 15.4 mmm-85 -141.4 54.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.661 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.76 174.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.883 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.28 127.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.601 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -103.3 147.39 27.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.63 116.08 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.869 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -109.66 150.93 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.869 ' H ' HD22 ' A' ' 61' ' ' LEU . 83.8 t -144.69 112.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.533 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.16 158.47 17.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.723 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.0 t-20 44.82 94.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.608 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -131.17 -129.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.59 71.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.86 16.84 64.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -165.57 -179.6 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 17' ' ' THR . 65.8 p -121.86 149.16 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -127.14 149.86 49.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' VAL . 55.1 p -133.18 142.78 48.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.875 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.9 OUTLIER -146.67 121.12 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.527 HG12 ' CB ' ' A' ' 59' ' ' ASP . 14.4 mt -134.62 146.65 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -130.34 128.17 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.8 m-20 -127.84 128.67 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.5 m-20 85.21 84.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.677 HD21 HG21 ' A' ' 74' ' ' VAL . 73.5 mt -95.4 131.56 41.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.692 HD23 ' HA ' ' A' ' 108' ' ' TRP . 13.3 tp -39.44 -46.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.725 ' HD2' HG21 ' A' ' 106' ' ' THR . 25.6 mmtt -127.6 159.92 63.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 166.58 28.86 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.09 138.46 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.95 132.95 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' SER . 68.0 t -79.01 -68.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -47.67 -25.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.55 -25.29 21.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.511 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 2.1 m -64.91 156.12 32.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 98' ' ' LEU . 11.4 m -153.64 168.58 25.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.585 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -132.43 145.88 51.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 96' ' ' LEU . 2.5 mtmm -137.84 165.18 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.7 t -134.97 125.95 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.486 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -111.92 172.1 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 96.8 m -50.27 117.77 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.2 p30 44.97 38.55 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.778 HG23 ' O ' ' A' ' 36' ' ' ILE . 25.5 m -159.01 144.9 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 60' ' ' LEU . 5.7 p -113.79 124.32 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.765 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -96.8 145.64 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 96' ' ' LEU . 13.3 mm -136.92 90.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.1 mt -76.31 122.7 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.9 m -119.86 113.94 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.694 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.1 mmp_? -58.39 148.43 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -101.0 124.94 47.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -66.14 -27.77 68.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.48 116.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -66.99 172.3 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 m120 59.01 49.7 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.725 HG21 ' HD2' ' A' ' 79' ' ' LYS . 3.2 m -139.05 106.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.0 44.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.692 ' HA ' HD23 ' A' ' 78' ' ' LEU . 11.6 m0 -119.2 93.94 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.6 OUTLIER -58.87 -18.88 36.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.639 ' H ' HD22 ' A' ' 78' ' ' LEU . 89.2 m-85 -162.46 147.27 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -58.65 -31.93 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.528 HG22 HD23 ' A' ' 77' ' ' LEU . 11.1 p -142.19 151.08 41.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.447 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.41 ' HG2' HD12 ' A' ' 78' ' ' LEU . 35.7 mt-30 -56.87 -39.42 74.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.652 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.6 p -42.75 -61.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.652 ' H ' HG13 ' A' ' 114' ' ' VAL . 12.9 tt0 -43.95 -44.61 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -56.82 -47.96 79.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -77.59 -13.72 59.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -83.95 -57.22 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -52.98 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.83 85.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.28 99.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.7 p -46.42 115.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.97 -162.01 0.1 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.38 5.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.551 1.817 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.05 81.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.056 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.6 m -81.51 129.17 34.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 110.967 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -70.01 92.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -162.67 161.73 26.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.65 -145.83 5.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m 61.11 148.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 p -150.38 126.46 10.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.37 162.25 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.435 1.084 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.7 p -114.77 98.08 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.39 151.69 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.97 108.53 15.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.08 38.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 pt -65.36 123.97 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 p -90.19 92.3 8.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p 46.41 25.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.33 81.73 0.33 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -88.28 -164.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.692 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -117.58 147.14 43.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' SER . 40.4 t -76.93 152.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 118.46 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.817 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.9 mt -77.02 91.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -52.38 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.13 119.68 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 25.5 p90 -150.07 136.3 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.55 130.52 10.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.418 1.074 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.459 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.8 p-90 -132.93 154.82 50.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.596 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -168.52 131.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.554 ' CB ' HG22 ' A' ' 32' ' ' VAL . 2.8 pp0? -136.86 165.32 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.29 170.69 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 22.0 m-20 -65.28 82.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER 169.89 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 52.1 m-85 -150.95 169.91 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG22 ' CB ' ' A' ' 27' ' ' GLN . 41.7 t -120.15 137.93 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 19.9 ttpt -146.26 148.9 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.638 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -125.44 151.63 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.677 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -133.17 107.82 8.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.892 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -105.07 145.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.99 101.32 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.698 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -133.11 105.8 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -79.31 111.07 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.52 -25.78 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.1 p -56.64 -20.75 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -90.26 -1.52 57.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -107.26 -22.25 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.634 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.2 m -82.62 152.06 66.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 170.55 20.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -73.54 -3.24 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -83.81 -23.81 31.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 8.0 m120 -93.93 -6.72 44.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 39.3 t -112.54 105.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . 1.6 tp-100 -119.06 106.24 12.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -123.28 131.3 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-80 -120.58 134.9 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.627 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 39.2 m-85 -103.04 144.95 30.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 57' ' ' SER . 21.3 p -127.06 -164.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.7 pt-20 -78.16 -39.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 18.4 mmm-85 -142.01 53.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.703 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 176.15 174.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.38 127.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.4 p-10 -106.76 151.24 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -143.05 113.14 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.882 HD11 ' HD2' ' A' ' 63' ' ' LYS . 3.4 tm? -98.06 146.1 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.669 ' N ' HD13 ' A' ' 61' ' ' LEU . 84.9 t -147.46 102.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.882 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -105.62 166.55 10.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.634 ' O ' HG11 ' A' ' 44' ' ' VAL . 4.1 t-20 38.7 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -123.89 -125.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.86 74.56 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.96 19.82 63.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.504 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -165.79 -170.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.692 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.2 m -128.85 157.34 41.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.526 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.9 m-85 -136.45 149.93 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.4 p -136.33 142.24 43.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.817 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -147.62 120.13 8.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.43 144.84 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.804 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -126.76 122.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.54 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.4 m-80 -120.32 130.32 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.3 m-20 85.12 83.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD21 ' CG2' ' A' ' 74' ' ' VAL . 71.9 mt -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.8 tp -39.53 -46.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 12.2 mmtt -127.94 160.66 60.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.97 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.703 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.55 149.16 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 126.64 31.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.459 HG22 ' C ' ' A' ' 53' ' ' PHE . 40.8 t -74.2 -68.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.86 -37.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.09 -32.18 29.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.8 m -55.6 157.16 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.411 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 2.5 m -155.02 161.49 41.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.496 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.62 139.93 53.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -136.85 161.72 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 95' ' ' VAL . 92.6 t -134.31 132.84 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -114.83 178.37 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 51.5 m -59.22 121.36 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.8 p30 45.64 31.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.892 HG23 ' O ' ' A' ' 36' ' ' ILE . 28.9 m -156.41 146.2 21.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.739 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -114.75 128.26 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -96.59 148.26 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 58' ' ' PHE . 16.7 mm -136.37 90.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -77.14 118.8 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.459 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.8 m -119.86 108.74 14.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.306 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.703 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.0 mmp_? -57.64 147.31 27.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.473 ' HG3' HG23 ' A' ' 32' ' ' VAL . 17.8 mttt -94.87 143.64 26.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -89.5 -27.1 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -145.39 117.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.82 -174.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 40.5 44.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -129.13 103.24 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 141.67 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 11.4 m0 -107.05 100.77 10.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 16.0 m-20 -67.03 -16.78 64.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.527 ' H ' HD22 ' A' ' 78' ' ' LEU . 75.0 m-85 -160.08 157.42 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.597 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -69.46 -28.56 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 15.1 p -145.49 152.94 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' LYS . 28.8 mt-30 -56.82 -39.12 73.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.644 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.6 p -42.39 -60.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.644 ' H ' HG13 ' A' ' 114' ' ' VAL . 14.3 tt0 -45.46 -33.91 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' GLN . 17.9 tttt -71.65 -56.87 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -60.91 -24.93 66.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.7 t -83.53 -59.66 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 1.5 mmpt? -46.0 -51.42 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.12 -56.05 19.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -55.62 121.12 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.9 t 44.41 87.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.74 -162.1 10.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.4 m -68.38 -56.84 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.5 m -92.43 113.68 26.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -162.92 172.05 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.068 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m 62.04 154.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.28 -95.28 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.33 116.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 110.057 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.69 129.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.42 116.68 0.54 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -106.52 143.09 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.08 139.32 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.59 127.0 45.49 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 116.61 4.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.6 pt -65.51 152.47 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' THR . 64.3 p -113.36 131.84 55.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -34.89 124.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -137.16 116.14 1.34 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.55 158.49 16.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.759 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -135.9 147.34 48.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' SER . 17.7 t -77.84 154.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -107.21 116.04 31.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.576 HD12 ' HB2' ' A' ' 72' ' ' MET . 11.4 mt -75.18 100.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.9 m -86.08 -55.08 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -87.48 120.25 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.614 ' HE1' HD12 ' A' ' 111' ' ' LEU . 18.4 p90 -149.37 137.26 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -86.74 135.94 13.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.3 p-90 -139.15 151.99 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.83 -177.46 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' A' ' 108' ' ' TRP . 21.1 pt20 -163.63 136.41 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.7 t -140.76 128.77 21.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.9 m-20 -41.51 91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.77 -55.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 47.2 m-85 -156.32 166.62 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.98 139.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.59 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.4 ttpt -145.09 148.34 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.5 mp -121.84 149.23 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.818 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -133.45 103.6 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -98.82 146.27 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -93.25 101.78 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.752 HD12 HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -135.42 104.89 6.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.408 ' HA ' ' CG ' ' A' ' 93' ' ' ASP . 1.1 m -79.57 104.25 10.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 130.91 -28.0 3.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -56.82 -18.08 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 93' ' ' ASP . 21.8 p-80 -90.11 -6.03 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -102.47 -20.92 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.0 m -82.06 150.29 64.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 169.92 21.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.4 t -72.31 -8.67 56.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -79.93 -22.0 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -94.63 -19.94 20.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.9 t -99.75 99.64 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -113.29 112.63 24.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.68 135.1 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 69.7 t60 -124.48 134.27 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.559 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 37.5 m-85 -102.3 144.21 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.5 p -126.98 -167.0 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.3 pt-20 -74.16 -41.82 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 4.5 mmm180 -141.53 59.87 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.72 ' N ' HD12 ' A' ' 77' ' ' LEU . 2.1 p 169.23 170.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.841 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.98 127.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.7 p-10 -105.66 147.16 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.782 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -144.72 115.34 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.792 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.72 148.72 30.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.785 ' H ' HD22 ' A' ' 61' ' ' LEU . 85.7 t -144.41 104.38 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.51 163.52 12.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.495 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.5 t-20 40.07 91.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.752 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -119.83 -120.53 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.77 78.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.49 18.47 67.79 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.99 -170.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.508 ' HB3' HG23 ' A' ' 17' ' ' THR . 70.9 m -131.48 150.53 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.566 ' CD1' HD23 ' A' ' 65' ' ' LEU . 10.4 m-85 -128.22 148.21 50.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' VAL . 36.8 p -134.46 142.11 46.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.576 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -147.78 119.31 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -135.32 144.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.841 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.57 121.81 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 5.4 m120 -117.99 132.47 56.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER 79.07 91.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 57' ' ' SER . 40.7 mt -99.52 132.29 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 113' ' ' GLN . 5.4 tp -37.24 -45.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.52 ' HB2' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mmtt -127.49 160.14 61.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.468 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.02 165.03 32.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -147.95 140.71 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.33 138.69 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.82 -68.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -49.87 -22.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.02 -29.44 10.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -61.41 163.25 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 m -157.94 159.91 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.68 140.27 53.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 96' ' ' LEU . 4.6 mtmt -138.04 158.31 44.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.468 HG22 HG23 ' A' ' 95' ' ' VAL . 85.5 t -134.27 128.04 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.11 178.45 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.0 m -63.34 118.69 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 42' ' ' HIS . 74.2 m-20 51.87 28.03 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 36' ' ' ILE . 25.0 m -154.74 145.04 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.782 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -113.76 130.43 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.818 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.1 mt -101.38 147.77 25.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.533 HD11 ' CD1' ' A' ' 60' ' ' LEU . 17.4 mm -137.0 90.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.477 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -76.82 120.72 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 36.1 m -120.37 109.75 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.0 mmp_? -58.02 148.26 26.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -98.91 136.23 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -75.73 -23.58 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.27 118.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.63 172.39 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 52.3 60.73 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.448 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.1 m -131.74 146.2 52.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -105.67 136.6 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -113.08 92.56 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.509 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 11.4 m-20 -61.99 -14.57 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.752 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.4 m-85 -161.57 139.72 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.614 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -50.74 -36.26 35.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.2 p -124.74 160.47 28.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.775 ' HA ' HD12 ' A' ' 78' ' ' LEU . 17.8 tt0 -74.92 -12.38 60.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 117' ' ' GLU . 83.5 t -72.0 -58.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.562 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -41.27 -29.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -69.96 -50.86 37.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 114' ' ' VAL . 2.5 pt-20 -71.89 -33.81 68.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.0 m -69.21 -54.16 16.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 108.287 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -55.15 -58.14 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -75.83 87.7 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.35 100.08 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 56.04 105.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.29 98.63 0.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 66.36 6.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.506 1.792 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.4 -170.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.5 m -93.29 110.17 21.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -168.53 113.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.83 110.19 10.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.09 90.56 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.51 97.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.11 133.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.0 59.15 0.52 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -122.93 124.35 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.2 121.53 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.85 127.0 23.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 83.86 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -106.33 109.11 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' GLY . 26.2 p -115.22 109.25 17.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p 38.93 29.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 13' ' ' THR . . . -127.7 108.42 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -168.92 152.74 5.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -128.4 147.03 50.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.435 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -76.21 155.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.07 122.84 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.681 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.1 mt -84.68 92.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.557 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 63.1 m -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.96 119.79 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 16.7 p90 -149.75 135.11 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.776 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -80.0 139.29 21.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 36.2 p-90 -145.9 157.45 43.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -158.6 173.53 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HB2' HG22 ' A' ' 32' ' ' VAL . 15.9 pm0 -151.38 146.29 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -139.89 154.57 47.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.7 m-20 -63.57 79.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.8 mtmt 167.64 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 42.0 m-85 -155.49 167.72 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 27' ' ' GLN . 46.2 t -119.45 142.68 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 3.0 ptmt -146.5 156.56 43.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.776 HG23 ' O ' ' A' ' 24' ' ' GLY . 3.6 mp -127.25 142.64 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.583 ' CD1' HD21 ' A' ' 96' ' ' LEU . 2.6 m-85 -119.77 109.73 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -109.7 148.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.93 114.02 26.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.75 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -146.33 101.87 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -75.23 120.7 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 110.66 -23.5 19.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.3 p -56.73 -25.9 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -84.65 -2.83 58.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -107.98 -36.17 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.5 m -66.74 154.05 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.02 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -74.46 -3.7 32.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -86.79 -29.21 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 59.1 m-20 -81.42 -15.61 54.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.92 112.79 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -118.92 116.38 26.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.237 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -132.91 135.6 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 75.9 t60 -124.7 137.67 54.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 29.8 m-85 -106.46 145.82 31.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.461 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 74.0 p -131.03 -164.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 4.3 pt-20 -77.54 -40.94 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' SER . 11.8 mmm-85 -142.32 67.11 1.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 2.4 p 159.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.885 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.35 127.64 5.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.6 p-10 -105.27 143.65 33.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.08 117.09 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -111.57 147.86 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.776 ' N ' HD13 ' A' ' 61' ' ' LEU . 71.3 t -142.33 115.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.596 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -111.25 162.77 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.659 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.5 t30 40.46 90.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.561 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -128.01 -132.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.01 70.5 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.07 21.38 61.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 2.5 ptpt -163.59 -169.91 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.697 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.2 m -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.668 ' CG ' HD21 ' A' ' 38' ' ' LEU . 24.3 m-85 -131.48 148.72 52.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.681 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.3 ttt -149.38 122.09 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.569 HG12 ' CB ' ' A' ' 59' ' ' ASP . 8.9 mt -135.56 143.75 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.885 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.6 119.08 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 84.0 m-20 -119.84 131.08 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.8 m-20 85.66 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 74' ' ' VAL . 97.1 mt -96.0 131.4 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.773 HD11 ' HD3' ' A' ' 116' ' ' LYS . 11.7 tp -38.07 -48.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mmtt -124.84 159.25 59.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.96 166.94 28.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.0 138.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.5 143.64 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 46.0 t -87.32 -68.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -54.44 -19.3 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.54 -31.74 8.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -64.81 157.14 28.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.09 161.73 41.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.56 131.87 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.8 mtmt -125.95 163.16 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.41 HG22 HG23 ' A' ' 95' ' ' VAL . 40.7 t -134.88 123.9 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 m -53.8 119.14 4.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 44.21 34.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 36' ' ' ILE . 37.7 m -155.77 148.28 23.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 60' ' ' LEU . 5.3 p -118.53 115.34 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -88.88 132.24 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.476 HD11 ' HG ' ' A' ' 60' ' ' LEU . 15.9 mm -117.4 90.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.98 120.57 18.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 58.6 m -119.91 111.98 18.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.24 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.3 mmp_? -58.43 148.35 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 4.7 mttt -100.11 124.6 45.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -65.32 -27.44 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.3 OUTLIER -149.42 115.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.07 172.14 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 60.52 53.59 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.405 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.1 m -138.23 144.75 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -105.4 144.8 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.58 ' HA ' HD23 ' A' ' 78' ' ' LEU . 12.4 m0 -113.26 98.44 7.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 13.6 m-20 -64.97 -17.76 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.639 ' H ' HD22 ' A' ' 78' ' ' LEU . 37.7 m-85 -162.46 146.92 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -54.96 -44.97 74.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.528 HG22 HD23 ' A' ' 77' ' ' LEU . 12.7 p -130.03 157.03 43.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.421 ' HG2' HD12 ' A' ' 78' ' ' LEU . 38.7 mt-30 -60.52 -38.37 84.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.687 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.2 p -39.78 -63.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.687 ' H ' HG13 ' A' ' 114' ' ' VAL . 39.3 tt0 -48.5 -52.72 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.773 ' HD3' HD11 ' A' ' 78' ' ' LEU . 29.7 ttpt -49.09 -68.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' LYS . 19.1 mm-40 -38.31 -65.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.9 t -49.36 -61.9 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.17 -63.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -89.51 89.43 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 151.39 36.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m -92.96 147.85 22.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.39 -117.47 1.71 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.45 5.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.0 p -163.24 139.76 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.8 p -99.96 122.48 42.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -128.88 159.96 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -174.42 165.16 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.18 154.51 6.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -164.27 169.03 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.69 160.65 8.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.3 116.95 0.82 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.0 t -131.94 141.44 45.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.59 156.72 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.33 141.83 28.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 150.87 39.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 pt -70.76 160.76 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 14' ' ' THR . 19.9 p -95.69 134.84 38.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.5 OUTLIER -33.5 -41.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.54 -125.33 3.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -177.28 156.7 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 110.95 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.656 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -115.96 147.44 41.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.367 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 39.3 t -76.29 153.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -105.9 116.35 31.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.942 HD12 ' HB2' ' A' ' 72' ' ' MET . 17.7 mt -74.78 93.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -44.4 16.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.1 119.55 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.628 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 24.5 p90 -149.64 131.99 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.15 134.36 12.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.6 p-90 -138.1 151.2 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -148.06 144.26 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.586 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -127.12 144.88 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 41.0 m -140.25 151.04 44.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.05 80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER 168.51 -55.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 41.8 m-85 -154.82 168.62 26.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -116.15 138.03 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.69 ' HD2' HD22 ' A' ' 96' ' ' LEU . 12.5 ttpt -141.79 149.1 39.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.699 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -123.3 149.16 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -131.78 105.05 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 94' ' ' THR . 2.9 mp -104.3 149.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 102.25 14.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.69 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.01 101.88 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.16 118.39 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 113.58 -23.81 13.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.3 p -56.1 -26.07 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.28 3.26 40.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.631 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -114.77 -33.84 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.541 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.3 m -65.61 155.41 85.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.04 169.5 22.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -75.32 -7.28 53.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.13 -28.96 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 52.0 m-20 -79.9 -26.03 40.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 t -99.35 112.42 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -124.03 111.44 15.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -126.17 138.43 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.416 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 4.1 t60 -124.61 135.59 53.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.2 m-85 -105.98 137.13 44.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 57' ' ' SER . 14.2 p -121.71 -166.34 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -78.87 -36.77 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 12.9 mmm-85 -143.76 55.11 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.72 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.44 172.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.809 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.89 127.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.732 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.7 p-10 -109.29 148.66 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.22 114.64 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.57 148.19 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG1' HD22 ' A' ' 65' ' ' LEU . 97.7 t -146.83 101.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -104.03 160.26 14.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.541 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.2 t30 43.34 92.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.533 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -127.33 -131.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.09 72.13 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.12 20.44 64.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.76 -169.95 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.656 ' HB2' HG23 ' A' ' 17' ' ' THR . 17.2 p -134.36 151.6 51.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.575 ' CG ' HD21 ' A' ' 38' ' ' LEU . 19.3 m-85 -130.51 151.09 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.2 p -133.16 138.48 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.942 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -144.86 118.87 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.52 143.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.809 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.14 122.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 60.0 m-80 -119.0 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.7 OUTLIER 78.61 85.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.783 HD21 ' CG2' ' A' ' 74' ' ' VAL . 37.4 mt -94.76 132.07 39.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 113' ' ' GLN . 5.0 tp -38.53 -47.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.5 mmtp -127.92 159.81 64.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.1 Cg_endo -75.02 166.02 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -144.32 138.06 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -72.06 117.99 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.468 HG22 ' C ' ' A' ' 53' ' ' PHE . 41.4 t -67.11 -60.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -48.82 -22.25 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.6 -25.56 9.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.548 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 73.3 m -59.58 154.89 16.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 0.749 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 m -155.63 157.63 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.638 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -118.82 143.41 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 4.8 mtmt -138.8 161.09 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.02 131.13 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -116.63 172.2 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.1 m -51.54 118.55 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.97 37.56 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.5 m -158.79 142.59 15.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.76 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -111.29 126.23 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 34' ' ' ILE . 3.4 mt -98.41 145.95 26.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 60' ' ' LEU . 17.0 mm -135.41 91.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.538 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -76.63 118.56 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.442 ' HB3' HG21 ' A' ' 81' ' ' ILE . 8.7 m -119.6 106.92 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.9 mmp_? -57.71 148.39 24.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -97.41 144.12 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -83.56 -25.91 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -150.23 117.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -61.48 178.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 45.44 61.67 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.5 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.5 m -144.2 100.48 3.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.52 148.35 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.9 m0 -115.39 95.81 5.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -57.75 -28.49 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.622 ' H ' HD22 ' A' ' 78' ' ' LEU . 74.8 m-85 -150.18 138.24 20.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.577 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -48.89 -32.04 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.499 ' HB ' HG12 ' A' ' 114' ' ' VAL . 7.4 p -127.22 154.17 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.799 ' HA ' HD12 ' A' ' 78' ' ' LEU . 22.9 tt0 -67.34 -39.11 85.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.671 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.5 p -42.83 -61.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.671 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.3 OUTLIER -38.36 -57.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.544 ' HA ' ' CE2' ' A' ' 110' ' ' TYR . 3.8 ttpt -40.52 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 116' ' ' LYS . 36.6 mm-40 -37.55 -67.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 31.9 t -43.05 -61.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.332 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 2.6 mmpt? -47.32 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -49.48 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.93 163.66 34.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.4 m 61.13 104.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.58 142.72 3.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.5 t -165.25 102.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -83.35 121.94 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 62.53 165.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -91.9 147.51 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.037 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.54 128.07 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -137.5 151.81 48.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 p -166.76 158.94 13.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.71 157.85 29.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -93.62 116.39 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -86.73 143.35 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.2 108.52 15.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.4 4.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 pt -64.91 142.87 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' THR . 28.8 p -114.07 134.45 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -34.58 137.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.32 118.78 2.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -175.52 -179.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.991 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 69' ' ' SER . 0.0 OUTLIER -133.66 146.46 50.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.23 150.67 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 112.27 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 72' ' ' MET . 23.4 mt -78.36 72.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -43.69 84.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -95.57 119.55 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 38.3 p90 -150.04 138.54 20.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -88.39 131.09 10.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.646 ' CE3' HD23 ' A' ' 111' ' ' LEU . 36.4 p-90 -133.53 147.62 51.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.608 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -160.61 133.89 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.485 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -147.23 163.91 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.83 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.66 84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 171.27 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.3 m-85 -146.96 170.28 17.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 47.5 t -119.02 137.28 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.8 ttpt -146.36 146.24 30.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.9 mp -120.99 149.53 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.803 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -131.7 104.08 6.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.9 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -101.92 149.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.721 HD21 ' CG ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -137.11 100.99 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.22 122.08 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 109.44 -23.34 22.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -55.98 -25.25 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -87.51 5.13 40.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.32 -30.17 7.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.78 HG11 ' O ' ' A' ' 64' ' ' ASN . 34.2 m -72.91 156.37 89.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -74.95 169.95 21.48 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t -77.24 -3.5 40.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.04 -19.53 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.411 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 44.2 m-20 -89.65 -17.64 28.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG11 ' CE ' ' A' ' 88' ' ' LYS . 47.1 t -103.25 110.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -117.43 114.27 23.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -133.42 133.58 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 66.1 t60 -123.97 131.45 53.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' C ' HG22 ' A' ' 83' ' ' VAL . 68.1 m-85 -101.46 148.66 24.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.6 p -131.55 -164.53 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 1.8 pt-20 -78.86 -37.23 40.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 15.5 mmm-85 -143.75 61.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.5 p 164.31 166.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.821 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -163.15 127.75 3.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.0 p-10 -106.0 144.54 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.92 117.59 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.803 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -112.99 149.26 33.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.794 ' H ' HD22 ' A' ' 61' ' ' LEU . 93.1 t -142.19 104.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.24 153.38 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.78 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.3 t-20 49.83 101.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.555 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -139.66 -131.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -70.6 69.33 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.31 18.79 63.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -165.78 -172.03 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.516 ' HB3' HG22 ' A' ' 17' ' ' THR . 17.1 m -125.63 156.85 38.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.721 ' CG ' HD21 ' A' ' 38' ' ' LEU . 32.7 m-85 -135.85 129.28 32.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.8 p -114.01 143.48 44.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.628 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.1 ttm -151.66 118.59 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.97 146.58 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.1 122.53 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 30.2 m-20 -118.35 128.13 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 82.61 90.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.781 HD21 HG21 ' A' ' 74' ' ' VAL . 69.1 mt -99.28 134.98 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.887 HD11 ' HD3' ' A' ' 116' ' ' LYS . 6.3 tp -37.79 -46.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 26.9 mmtt -129.64 161.66 57.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 165.64 30.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -142.93 141.36 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.6 OUTLIER -76.93 112.89 14.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.956 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 86' ' ' SER . 13.3 t -58.68 -66.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.75 -44.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.15 -33.3 45.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 82' ' ' SER . 73.7 m -52.03 155.53 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 2.0 m -159.62 159.87 33.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -121.0 144.46 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.7 mtmt -138.45 162.93 33.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.9 132.17 53.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -117.1 175.01 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 95.9 m -52.25 117.27 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.0 p30 44.87 37.75 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.0 m -157.34 144.73 18.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 60' ' ' LEU . 7.6 p -112.82 124.35 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.803 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -95.85 144.41 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.509 HD11 ' CD1' ' A' ' 60' ' ' LEU . 21.1 mm -133.23 91.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -78.02 119.32 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.517 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.1 m -119.65 105.04 10.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.716 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.9 mmp_? -56.71 147.67 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -94.36 148.35 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -87.7 -26.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -152.3 116.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.94 169.49 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.47 35.76 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.6 m -128.95 96.6 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.55 154.5 32.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.522 ' HA ' HD23 ' A' ' 78' ' ' LEU . 13.6 m0 -117.44 99.92 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.45 -28.26 68.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.616 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.7 m-85 -141.97 164.29 30.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.646 HD23 ' CE3' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -71.48 -31.16 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.579 HG23 HD13 ' A' ' 111' ' ' LEU . 18.5 p -135.45 149.1 49.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.709 ' HA ' HD12 ' A' ' 78' ' ' LEU . 24.1 tt0 -57.38 -38.42 74.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.62 HG13 ' H ' ' A' ' 115' ' ' GLU . 3.2 p -46.87 -59.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.62 ' H ' HG13 ' A' ' 114' ' ' VAL . 4.1 tt0 -39.28 -35.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.887 ' HD3' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -73.09 -53.93 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.36 -15.41 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -95.83 -51.65 4.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 108.269 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -57.31 -41.66 80.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 2.6 mm-40 -120.73 -173.0 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 0.4 OUTLIER 85.53 -62.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.239 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.3 t -125.95 80.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.94 -167.46 40.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 171.09 18.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.43 1.753 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.9 t -107.18 106.84 17.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.31 97.88 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -161.44 170.03 20.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.41 155.69 46.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.12 -178.74 18.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.584 1.178 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.02 134.89 3.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 0.765 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -161.28 175.74 11.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.063 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.32 112.06 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 p -131.92 132.81 61.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.74 145.31 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.99 122.38 24.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 159.14 41.87 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.46 157.79 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 14' ' ' THR . 32.2 p -116.31 131.3 56.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -33.42 142.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.93 -116.87 0.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -176.94 -178.24 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 110.984 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.681 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -92.87 147.13 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.376 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.5 t -78.0 150.87 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.04 114.85 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.669 HD12 ' HB2' ' A' ' 72' ' ' MET . 22.2 mt -74.69 95.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -83.15 -50.5 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.97 120.29 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 26.3 p90 -149.04 134.39 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -86.31 134.11 12.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.6 p-90 -137.21 152.25 49.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.612 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -166.58 134.03 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.6 ' CB ' HG22 ' A' ' 32' ' ' VAL . 3.0 pp0? -137.96 165.06 27.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.6 170.49 15.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.37 82.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER 171.05 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 50.7 m-85 -148.7 170.19 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG22 ' CB ' ' A' ' 27' ' ' GLN . 25.1 t -117.11 138.76 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HD2' HD22 ' A' ' 96' ' ' LEU . 10.3 ttpt -145.72 148.34 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.687 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -124.8 154.46 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -136.16 107.9 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -107.59 148.52 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.64 113.14 25.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.769 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -145.5 99.57 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.44 111.91 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.07 -24.61 7.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 38' ' ' LEU . 10.7 p -56.33 -24.28 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -87.94 3.74 47.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 -21.45 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.637 HG11 ' O ' ' A' ' 64' ' ' ASN . 24.0 m -82.74 153.32 67.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 170.07 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -74.24 -3.7 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -84.39 -24.6 29.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 53.6 m-20 -90.4 -13.45 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 16.9 t -106.45 102.1 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -114.22 111.45 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.84 133.25 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 t-160 -122.65 127.97 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.469 ' C ' HG22 ' A' ' 83' ' ' VAL . 66.8 m-85 -94.1 153.6 18.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 83' ' ' VAL . 25.5 p -134.19 -167.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -80.3 -35.58 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.49 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -143.4 58.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.635 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.2 p 166.0 178.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.817 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.45 128.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 p-10 -106.41 142.37 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.658 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -139.83 115.6 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.839 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -108.12 150.7 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.839 ' H ' HD22 ' A' ' 61' ' ' LEU . 69.4 t -143.99 116.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.532 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.85 164.26 13.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.637 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER 40.53 91.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.591 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -127.95 -128.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.06 73.27 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.43 19.15 66.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.36 -173.82 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.754 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.681 ' CB ' HG23 ' A' ' 17' ' ' THR . 48.9 m -125.76 159.18 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.741 ' CD2' HD21 ' A' ' 38' ' ' LEU . 25.1 m-85 -134.79 147.37 49.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' VAL . 50.8 p -132.24 142.33 49.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.669 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -150.83 119.03 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.3 mt -135.18 144.85 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.92 123.16 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 25.7 m120 -120.19 130.73 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.3 m-20 83.29 90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 74' ' ' VAL . 58.0 mt -102.28 134.69 45.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.778 HD11 ' HD3' ' A' ' 116' ' ' LYS . 9.3 tp -39.1 -46.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 18.7 mmtt -129.35 160.1 65.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.49 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.99 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -141.92 141.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -78.82 103.23 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' THR . 22.2 t -51.4 -61.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' VAL . 44.0 mt-10 -38.8 -51.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -30.58 61.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 82' ' ' SER . 21.6 m -51.31 153.38 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.2 161.05 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.616 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -122.15 142.73 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.4 mtmt -137.03 161.95 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.9 130.39 52.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 2.4 ptpt -113.45 -178.15 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 89.4 m -60.92 118.82 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 92' ' ' THR . 3.9 p30 46.11 30.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 36' ' ' ILE . 19.9 m -152.53 143.92 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -111.31 131.45 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.744 HD22 ' HD2' ' A' ' 33' ' ' LYS . 3.7 mt -102.98 143.73 32.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.559 HD11 ' CD1' ' A' ' 60' ' ' LEU . 19.5 mm -133.04 90.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.52 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.3 mt -76.09 119.34 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.589 ' HB3' HG21 ' A' ' 81' ' ' ILE . 2.3 m -119.71 103.17 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.697 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.6 mmp_? -56.83 147.95 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -92.29 153.96 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -91.25 -25.05 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.63 117.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -61.65 173.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 55.57 50.91 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.425 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -139.12 102.12 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -71.16 152.25 43.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.6 m0 -116.75 99.22 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.528 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 28.6 m-20 -66.96 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.635 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -162.05 154.08 19.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -66.75 -35.53 80.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 19.4 p -137.67 152.67 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 114' ' ' VAL . 73.0 mt-30 -58.1 -40.02 80.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.658 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.4 p -40.01 -61.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.658 ' H ' HG13 ' A' ' 114' ' ' VAL . 15.3 tt0 -49.23 -53.67 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.778 ' HD3' HD11 ' A' ' 78' ' ' LEU . 33.0 ttpt -50.76 -67.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -45.04 -49.61 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 15.5 m -53.78 -68.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -42.33 -47.56 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.03 -169.36 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.47 -177.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.73 123.93 8.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -179.72 148.99 8.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.92 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.28 144.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.3 p -59.23 130.63 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -168.71 170.92 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.43 -60.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.951 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.98 -120.29 12.07 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 68.83 130.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.49 165.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.993 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.04 120.36 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.94 151.55 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 p -129.46 138.45 54.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.6 154.73 80.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.94 175.54 11.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.89 103.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 11' ' ' PRO . 52.1 p -125.55 108.95 12.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 p 47.02 -156.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.454 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.21 -156.67 23.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.446 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 5.7 p90 -65.9 177.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.593 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -97.95 147.32 24.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.31 151.25 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -103.12 117.09 33.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.536 HD12 ' HB2' ' A' ' 72' ' ' MET . 12.8 mt -78.49 96.51 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.2 p -86.9 -40.85 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.32 119.7 38.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 27.5 p90 -148.57 139.83 23.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.23 127.42 8.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 22.5 p-90 -129.24 145.82 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -159.07 133.72 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.463 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -142.16 165.32 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -37.6 92.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.82 -50.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -150.76 170.52 19.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG23 ' HG3' ' A' ' 101' ' ' LYS . 39.7 t -123.51 135.71 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 7.9 ttpt -147.16 150.41 34.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.66 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -127.94 151.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.735 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -132.01 104.27 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.816 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -101.04 147.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 m -92.8 105.6 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.709 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.65 100.76 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.416 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -76.36 119.24 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.431 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 111.75 -22.94 18.34 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.8 p -57.0 -18.71 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -89.33 1.86 55.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.21 -20.39 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.532 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.6 m -80.41 154.43 74.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 177.07 9.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 t -81.3 -7.27 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -84.24 -21.49 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -88.83 -17.74 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG11 ' CE ' ' A' ' 88' ' ' LYS . 28.4 t -107.77 108.08 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -120.07 110.93 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -127.14 135.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 2.5 t-80 -123.88 131.09 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 56.3 m-85 -101.08 144.3 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 57' ' ' SER . 1.2 p -126.95 -166.45 1.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 3.0 pt-20 -74.69 -41.46 60.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 2.8 mmm180 -141.17 51.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.75 ' N ' HD12 ' A' ' 77' ' ' LEU . 25.1 m 179.67 172.37 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.824 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.47 127.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.67 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.3 p-10 -107.18 151.43 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.665 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.0 116.51 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.872 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -107.48 151.08 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.872 ' H ' HD22 ' A' ' 61' ' ' LEU . 90.6 t -146.84 112.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -111.86 166.03 11.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.532 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER 39.98 90.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.536 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.64 -134.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.2 t-20 -71.66 70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.8 21.89 67.81 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.28 -178.56 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.593 ' HB2' HG23 ' A' ' 17' ' ' THR . 15.3 p -125.04 151.68 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 29.4 m-85 -129.94 148.51 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 p -134.37 140.3 46.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.542 ' HE1' ' CG ' ' A' ' 23' ' ' TYR . 1.8 ttm -147.09 125.5 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' ASP . 6.2 mt -138.29 142.25 35.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.824 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.81 123.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.0 m-80 -127.12 138.11 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.5 m-20 84.44 65.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.75 HD12 ' N ' ' A' ' 57' ' ' SER . 33.2 mt -79.86 134.19 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.54 HD22 ' H ' ' A' ' 110' ' ' TYR . 13.9 tp -42.8 -48.64 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 6.3 mmtt -124.2 159.81 55.31 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.06 160.68 39.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.731 HD13 ' SG ' ' A' ' 99' ' ' CYS . 1.7 pp -142.64 142.07 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 133.14 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.484 HG22 ' C ' ' A' ' 53' ' ' PHE . 42.7 t -77.28 -68.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -48.12 -27.94 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.57 -31.32 16.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.0 m -59.35 157.81 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.2 m -157.01 157.54 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.577 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -122.45 144.63 48.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.4 mtmm -136.14 165.13 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.83 130.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -113.24 -173.81 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.7 m -65.93 109.76 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 98.7 m-20 55.46 32.77 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 36' ' ' ILE . 20.0 m -154.63 144.97 22.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.665 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -113.92 122.93 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.735 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -93.57 145.86 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 60' ' ' LEU . 13.5 mm -134.58 91.51 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.6 mt -78.31 121.65 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.731 ' SG ' HD13 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -120.69 113.9 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.694 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.2 mmp_? -58.87 149.01 28.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' A' ' 32' ' ' VAL . 4.6 mttt -100.45 106.54 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -42.53 -29.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -151.3 114.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -63.42 176.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 57.8 49.94 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.42 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 1.3 m -140.56 106.62 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.16 144.9 51.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.2 m0 -111.1 99.14 8.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 27.5 m-20 -68.51 -15.96 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.54 ' H ' HD22 ' A' ' 78' ' ' LEU . 65.3 m-85 -160.08 152.03 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -64.65 -46.77 81.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 p -129.23 154.15 47.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -54.83 -38.62 67.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.654 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.6 p -42.82 -61.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.654 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.3 OUTLIER -44.8 -59.7 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 59.7 tttp -41.31 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -38.99 -65.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.24 -64.82 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -41.22 -63.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -48.18 -64.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.44 144.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.52 145.09 56.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.8 -160.87 32.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 116.34 4.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.51 124.69 20.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.6 t -88.67 135.59 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -151.15 129.21 11.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -113.37 123.41 50.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.0 -64.6 0.3 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.59 103.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.956 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.67 117.14 22.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.54 69.09 3.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 8' ' ' VAL . 25.8 m -131.06 106.85 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.57 146.19 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.8 100.54 27.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.07 11.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.064 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.95 159.49 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.436 ' C ' ' CG2' ' A' ' 14' ' ' THR . 73.7 p -123.29 92.56 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.436 ' CG2' ' C ' ' A' ' 13' ' ' THR . 0.2 OUTLIER 38.1 89.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.58 108.85 0.61 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -168.85 171.35 8.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 0.713 . . . . 0.0 111.021 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -134.45 145.93 49.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.412 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.697 HG21 ' HE2' ' A' ' 68' ' ' LYS . 35.4 t -77.3 155.23 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -105.49 110.56 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.694 HD12 ' HB2' ' A' ' 72' ' ' MET . 23.8 mt -69.12 101.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.67 -58.28 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -87.3 119.63 27.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' HE1' HD12 ' A' ' 111' ' ' LEU . 24.7 p90 -148.15 135.53 20.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.93 133.33 11.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.596 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 41.0 p-90 -135.28 150.11 49.95 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -148.54 140.75 24.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.596 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.4 pm0 -122.79 147.47 46.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -137.01 147.65 46.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.2 m-20 -63.96 77.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.619 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 164.83 -46.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.619 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.8 m-85 -155.48 169.29 24.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.465 HG23 ' HE2' ' A' ' 101' ' ' LYS . 54.0 t -125.11 141.86 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.583 ' CG ' HD22 ' A' ' 96' ' ' LEU . 14.6 ttpt -146.33 149.9 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.648 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -122.3 144.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.774 ' CD2' HD21 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -128.68 104.53 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.857 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -101.54 143.16 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 m -88.88 104.82 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.791 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -138.12 102.57 4.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.41 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -78.16 118.89 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.53 -22.06 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.4 p -56.55 -20.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.96 4.65 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -113.54 -15.62 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 41' ' ' VAL . 33.2 m -80.82 155.65 73.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.94 169.75 21.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -76.82 -3.79 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -88.43 -19.94 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.462 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 76.7 m-20 -92.85 -22.33 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 t -98.42 91.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -110.78 112.53 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.77 134.46 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -122.06 135.76 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CZ ' ' C ' ' A' ' 87' ' ' SER . 33.8 m-85 -104.44 144.61 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 57' ' ' SER . 41.7 p -128.96 -163.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.7 pt-20 -80.19 -38.83 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 78' ' ' LEU . 6.6 mmm180 -142.32 61.2 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.45 ' N ' HD12 ' A' ' 77' ' ' LEU . 4.9 p 164.78 169.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.046 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.885 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.29 127.7 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -103.96 147.96 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.835 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.45 115.59 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.9 HD21 ' HD3' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -108.98 148.65 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.812 ' H ' HD22 ' A' ' 61' ' ' LEU . 68.9 t -147.12 101.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.9 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -101.15 164.29 11.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.472 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 1.0 OUTLIER 39.87 90.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.634 HD21 HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -121.94 -114.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 66' ' ' ASN . 9.8 p30 -95.99 78.82 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.61 16.13 60.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.697 ' HE2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -165.69 -169.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.631 ' HB3' HG23 ' A' ' 17' ' ' THR . 49.5 m -131.75 152.76 50.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.633 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.5 m-85 -130.16 144.29 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 78.3 p -133.14 142.86 48.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.694 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.2 ttt -148.83 120.41 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.545 HG12 ' CB ' ' A' ' 59' ' ' ASP . 12.3 mt -133.31 145.09 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.885 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.73 119.01 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 32.5 m120 -115.88 126.98 54.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.9 m120 82.84 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.653 HD21 HG21 ' A' ' 74' ' ' VAL . 82.5 mt -103.3 133.97 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 110' ' ' TYR . 5.2 tp -37.15 -46.31 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.532 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.9 mmtt -127.52 160.89 58.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -74.95 164.63 33.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 99' ' ' CYS . 1.3 pp -144.34 142.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.04 128.2 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 ' C ' ' A' ' 53' ' ' PHE . 38.9 t -71.88 -68.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -45.09 -26.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.29 -31.24 9.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.7 m -59.32 169.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.486 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -168.37 158.71 9.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.491 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -120.09 141.62 49.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.5 mtmt -140.22 160.13 40.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.5 t -134.81 132.35 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -108.3 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -68.81 110.1 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 66.9 m-20 59.74 32.39 21.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 36' ' ' ILE . 15.8 m -159.83 139.91 11.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 60' ' ' LEU . 7.7 p -105.06 130.87 55.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.774 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.6 mt -101.57 149.15 24.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 96' ' ' LEU . 16.1 mm -138.61 90.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 4.7 mt -77.58 120.52 22.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.456 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.7 m -119.67 107.36 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mmp_? -57.59 148.08 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.465 ' HE2' HG23 ' A' ' 32' ' ' VAL . 6.0 mttt -96.16 137.66 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -77.85 -25.79 48.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.83 118.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 30' ' ' LYS . 1.6 mm-40 -60.52 -173.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' GLU . 93.8 m-20 39.63 60.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.445 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.3 m -137.36 137.29 38.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.73 143.08 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.4 m0 -113.64 93.97 4.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 11.6 m-20 -58.89 -20.15 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.773 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -157.99 139.78 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.598 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -44.64 -46.21 10.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.432 HG22 HD23 ' A' ' 77' ' ' LEU . 40.0 p -117.22 166.01 12.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.722 ' HA ' HD12 ' A' ' 78' ' ' LEU . 23.2 tt0 -76.88 -16.73 59.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 115' ' ' GLU . 91.1 t -65.19 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -37.49 -49.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.02 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -41.2 -65.28 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.3 t -42.39 -65.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.512 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 10.9 mmmt -44.85 -62.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.79 86.07 6.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.52 -63.92 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 t -74.76 -64.27 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.34 170.84 37.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.098 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.56 41.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.05 109.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.5 t -98.09 141.15 31.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.25 86.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.76 169.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.03 163.31 33.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.35 161.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -156.79 169.13 25.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.59 139.52 6.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.16 151.84 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t -82.97 153.54 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.76 102.67 48.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -177.8 3.72 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt -67.57 107.77 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 p -125.42 111.6 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.8 p 48.47 -152.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.12 132.33 3.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -54.99 175.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.783 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -127.11 147.28 50.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.436 HG21 ' HE2' ' A' ' 68' ' ' LYS . 39.8 t -77.78 153.98 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.21 111.55 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.798 HD12 ' HB2' ' A' ' 72' ' ' MET . 28.0 mt -68.78 92.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -60.12 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.16 119.84 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 31.0 p90 -149.4 130.55 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -81.95 134.4 13.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.041 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.2 p-90 -138.87 149.31 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -145.86 146.35 31.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.1 pm0 -122.11 149.71 43.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 96.8 m-20 -65.08 76.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 29' ' ' ASP . 4.7 mtmt 165.78 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 59.1 m-85 -155.73 143.97 20.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.84 145.35 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -147.21 145.87 29.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.628 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.5 mp -119.7 153.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.704 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -136.49 110.42 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.729 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -109.0 150.89 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -94.98 106.28 18.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.627 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -138.93 104.71 5.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.98 119.46 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 111.9 -23.61 16.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -56.24 -24.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -86.14 3.28 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -113.75 -30.19 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.658 HG11 ' O ' ' A' ' 64' ' ' ASN . 31.6 m -72.88 153.72 91.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -74.96 174.26 13.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -76.42 -6.43 51.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.452 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.5 pt-20 -80.83 -32.69 35.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 26.6 m-20 -81.5 -18.81 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.01 106.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -119.96 114.52 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.49 137.6 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 13.7 t-160 -126.57 133.36 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.594 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -101.33 144.42 30.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.548 ' CA ' HG22 ' A' ' 83' ' ' VAL . 65.1 p -126.98 -163.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.3 pt-20 -79.18 -40.58 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.78 52.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.676 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.3 p 177.19 172.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.789 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.02 127.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.4 p-10 -105.45 149.0 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.62 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.77 116.83 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.834 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -109.68 149.68 29.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.834 ' H ' HD22 ' A' ' 61' ' ' LEU . 69.7 t -146.83 103.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.799 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -102.19 167.07 10.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.658 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.6 t-20 39.87 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.554 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.75 -129.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.47 72.47 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.27 21.2 63.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.22 -169.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.783 ' HB3' HG23 ' A' ' 17' ' ' THR . 58.0 m -133.1 153.08 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.569 ' CG ' HD21 ' A' ' 38' ' ' LEU . 44.6 m-85 -133.05 149.83 52.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 58.4 p -137.54 142.44 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.798 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.3 ttt -148.28 122.68 9.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.32 144.67 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.789 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.71 123.93 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 8.6 m120 -119.65 127.7 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.2 m-20 83.29 92.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.75 HD21 ' CG2' ' A' ' 74' ' ' VAL . 40.5 mt -101.11 134.05 44.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.4 tp -38.5 -49.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 16.9 mmtt -125.29 159.19 61.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.488 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.4 Cg_endo -75.01 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.457 HG22 ' HA ' ' A' ' 101' ' ' LYS . 1.6 pp -152.91 146.95 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -70.55 131.5 44.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG22 ' CA ' ' A' ' 54' ' ' THR . 37.6 t -73.72 -69.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.69 -14.16 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.64 -16.14 46.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.405 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 2.0 m -83.67 165.35 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -158.25 160.79 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.84 143.39 45.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.2 mtmt -134.85 161.26 35.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -134.98 135.78 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' CE ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.86 174.81 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -54.25 119.36 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 44.95 34.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 36' ' ' ILE . 27.1 m -156.46 145.43 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -114.88 126.24 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.704 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -95.88 147.89 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.523 HD13 ' O ' ' A' ' 96' ' ' LEU . 17.0 mm -140.66 91.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 33' ' ' LYS . 1.9 mt -77.01 132.32 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 83.8 m -118.25 106.65 13.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -58.36 104.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.684 ' HZ1' ' HE1' ' A' ' 108' ' ' TRP . 1.6 mttt -60.17 133.93 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -70.95 -36.79 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.82 121.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.86 173.64 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 61.44 49.57 5.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.563 HG22 ' HZ1' ' A' ' 101' ' ' LYS . 1.1 m -140.85 127.76 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -86.54 153.72 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.684 ' HE1' ' HZ1' ' A' ' 101' ' ' LYS . 9.4 m0 -122.32 90.96 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 2.2 m-20 -54.93 -21.38 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.675 ' H ' HD22 ' A' ' 78' ' ' LEU . 88.6 m-85 -162.11 155.59 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -60.46 -40.47 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 12.1 p -129.45 171.26 12.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.496 ' HG2' HD12 ' A' ' 78' ' ' LEU . 25.1 mt-30 -78.33 -19.48 53.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 118' ' ' CYS . 27.1 t -64.86 -61.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 11.7 tt0 -43.46 -32.84 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 58.5 tttt -71.31 -49.92 37.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -71.06 -18.56 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -85.77 -65.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.333 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -46.5 -62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -130.58 -151.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.23 94.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.3 p -132.29 -57.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.88 155.68 7.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 61.21 5.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 t -72.1 75.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.8 m -85.21 110.19 18.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 76.46 -68.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p 63.38 166.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.81 129.43 4.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.67 167.43 28.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 0.799 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -137.45 154.3 49.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.51 132.71 1.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -130.75 115.0 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -84.36 140.28 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.39 99.93 17.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.44 38.61 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 pp -64.75 138.8 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -124.97 112.66 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.9 p 49.33 -153.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.363 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.72 112.71 0.39 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -174.89 162.1 3.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.687 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -84.41 146.98 27.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.7 t -76.7 155.16 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -106.65 115.75 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.954 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.9 mt -74.37 95.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.0 m -79.69 -59.29 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -86.95 121.32 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.504 ' O ' ' CD1' ' A' ' 23' ' ' TYR . 34.9 p90 -148.75 130.05 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.03 128.21 8.35 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.595 ' CE3' HD23 ' A' ' 111' ' ' LEU . 49.9 p-90 -131.26 167.37 19.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -155.76 175.69 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.492 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 18.3 pm0 -156.15 144.77 20.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 147.87 40.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.7 m-20 -63.35 77.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mttt 165.19 -51.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.684 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 52.5 m-85 -156.06 157.32 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -112.1 148.38 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.54 ' CG ' HD22 ' A' ' 96' ' ' LEU . 13.5 ttpt -146.81 151.1 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.647 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.0 mp -124.28 149.0 28.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.741 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -132.59 110.02 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -109.04 150.38 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -94.08 108.71 20.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.72 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -142.0 102.46 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.96 117.18 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 114.76 -23.72 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.1 p -56.46 -23.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -86.96 -0.7 57.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.64 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.84 -31.14 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.8 m -71.93 154.07 92.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -76.64 -7.56 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -81.09 -32.56 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 56.1 m-20 -80.67 -13.04 59.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 t -110.21 104.75 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -115.82 115.6 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -133.6 139.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.3 t-160 -127.64 132.88 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.81 144.22 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.7 p -126.83 -164.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.1 pt-20 -80.08 -36.04 36.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 21.5 mmm-85 -144.43 57.65 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.741 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.9 p 168.24 173.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.816 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.44 127.58 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.5 p-10 -104.31 147.71 27.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.584 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.81 116.76 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.822 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -109.81 150.08 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.822 ' H ' HD22 ' A' ' 61' ' ' LEU . 70.3 t -143.47 112.14 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.695 ' HE3' HD21 ' A' ' 61' ' ' LEU . 1.4 mttt -109.46 162.78 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.668 ' O ' HG11 ' A' ' 44' ' ' VAL . 19.0 t30 40.95 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.564 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.71 -129.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -74.45 72.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.18 61.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.46 -170.31 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.687 ' HB3' HG23 ' A' ' 17' ' ' THR . 50.2 m -130.13 153.1 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 22.9 m-85 -131.88 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 77.2 p -131.59 144.13 50.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.954 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -151.28 118.52 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -135.6 142.91 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.816 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.61 119.28 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.9 m-20 -116.84 132.67 56.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.9 OUTLIER 79.58 90.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.741 HD12 ' N ' ' A' ' 57' ' ' SER . 43.5 mt -99.38 132.95 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 113' ' ' GLN . 6.2 tp -37.81 -47.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HD2' HG21 ' A' ' 106' ' ' THR . 19.4 mmtt -126.85 160.86 56.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.521 ' O ' HG23 ' A' ' 81' ' ' ILE . 18.2 Cg_endo -74.97 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 80' ' ' PRO . 1.3 pp -155.35 151.26 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -79.42 127.54 32.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 37.4 t -70.02 -69.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.6 -15.36 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.83 -16.06 46.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.409 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 4.5 m -83.2 167.55 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -160.03 157.68 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -116.5 144.29 44.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.3 mtmt -137.76 162.65 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.6 t -134.57 136.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.88 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 60.2 m -50.83 118.02 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.3 p30 45.02 37.11 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 36' ' ' ILE . 49.6 m -157.55 145.06 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -114.05 125.3 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.741 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -96.25 146.95 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 96' ' ' LEU . 15.8 mm -139.91 90.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD23 ' HE2' ' A' ' 33' ' ' LYS . 2.0 mt -75.81 132.62 40.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 80.9 m -118.43 111.78 19.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.684 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -64.46 102.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HE3' ' NE1' ' A' ' 108' ' ' TRP . 1.0 OUTLIER -54.39 134.37 45.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.601 ' HE2' HG23 ' A' ' 103' ' ' VAL . 4.3 ttpt -76.29 -32.48 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.601 HG23 ' HE2' ' A' ' 102' ' ' LYS . 48.0 t -139.95 130.58 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.06 170.18 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 55.44 47.17 21.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.493 HG21 ' HD2' ' A' ' 79' ' ' LYS . 5.6 m -129.95 123.01 29.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.5 150.49 23.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -118.77 100.19 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.4 -19.81 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.678 ' H ' HD22 ' A' ' 78' ' ' LEU . 67.0 m-85 -150.16 149.83 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.595 HD23 ' CE3' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -58.35 -37.6 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 76' ' ' ASN . 15.7 p -126.22 159.01 34.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.832 ' HA ' HD12 ' A' ' 78' ' ' LEU . 12.6 tt0 -67.54 -37.64 83.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.647 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.7 p -43.34 -60.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.647 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -38.18 -42.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.493 ' HB2' HD11 ' A' ' 78' ' ' LEU . 6.0 tptt -62.45 -58.08 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.31 -13.03 47.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' VAL . 6.4 m -88.41 -57.95 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -46.25 89.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.6 87.06 5.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -175.27 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.3 t 51.88 78.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.41 97.74 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 77.39 3.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 m 64.33 77.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.4 p -109.45 138.73 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.76 150.07 38.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -150.2 139.96 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.09 -129.41 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t 67.48 126.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.82 165.62 27.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.67 -152.46 7.17 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.438 1.087 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.26 145.12 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.12 152.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.72 140.7 34.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.06 2.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.81 159.02 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' THR . 71.6 p -123.15 132.43 54.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.085 . . . . 0.0 110.39 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -35.28 146.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.93 111.95 0.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.5 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -177.59 178.2 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -138.17 146.49 42.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -77.09 146.0 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.63 123.3 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.772 HD12 ' HB2' ' A' ' 72' ' ' MET . 29.0 mt -80.99 95.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -80.03 -61.28 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -85.41 120.14 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.666 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 36.5 p90 -148.46 131.7 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.509 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.11 135.39 14.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.6 p-90 -138.6 139.84 38.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.59 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -136.83 142.27 42.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 32' ' ' VAL . 10.0 pm0 -121.4 150.08 42.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -139.59 146.87 40.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.0 m-20 -65.19 74.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 7.5 mtpt 166.09 -48.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 57.1 m-85 -156.46 148.53 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.521 HG22 ' HB2' ' A' ' 27' ' ' GLN . 35.1 t -105.81 145.94 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' CG ' HD22 ' A' ' 96' ' ' LEU . 14.5 ttpt -147.18 147.34 30.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.63 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -119.76 147.5 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.724 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -130.22 107.8 9.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.813 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -105.98 146.42 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -90.05 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.716 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -139.34 101.26 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.409 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -77.8 115.28 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 116.56 -23.12 10.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.4 p -57.27 -20.19 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.82 3.39 53.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -114.64 -17.0 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.63 HG11 ' O ' ' A' ' 64' ' ' ASN . 23.5 m -87.31 152.33 52.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 169.82 21.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -73.81 -3.54 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -85.17 -24.35 27.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 5.4 m120 -89.13 -16.56 31.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 13.4 t -105.2 101.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -110.53 110.08 20.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.22 139.33 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 15.8 t-160 -130.04 130.57 45.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.653 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.27 145.72 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.486 ' CA ' HG22 ' A' ' 83' ' ' VAL . 22.9 p -128.07 -170.3 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -76.3 -34.71 59.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.494 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -144.77 59.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.507 ' N ' HD12 ' A' ' 77' ' ' LEU . 2.9 p 165.12 176.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.39 127.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.644 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.6 p-10 -104.28 145.84 29.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.727 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -143.05 115.33 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.774 ' N ' HD13 ' A' ' 61' ' ' LEU . 71.4 t -142.12 112.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.7 165.03 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.63 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.5 t30 40.51 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.56 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -127.93 -130.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.43 71.49 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.5 20.85 68.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.86 -172.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.622 ' HB3' HG23 ' A' ' 17' ' ' THR . 63.1 m -128.81 156.89 42.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.6 ' CD2' HD21 ' A' ' 38' ' ' LEU . 20.8 m-85 -132.84 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.2 p -135.42 143.49 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.772 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -152.63 119.61 5.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.24 121.11 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 20.7 m-80 -115.76 127.35 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.8 m-20 83.54 98.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.631 HD21 HG21 ' A' ' 74' ' ' VAL . 80.9 mt -107.49 134.09 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.583 HD22 ' H ' ' A' ' 110' ' ' TYR . 6.1 tp -38.23 -48.3 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 19.8 mmtt -128.12 156.1 76.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.494 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.97 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 99' ' ' CYS . 1.1 pp -149.88 147.88 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -70.58 112.7 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.486 HG22 ' CA ' ' A' ' 54' ' ' THR . 29.1 t -56.89 -69.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -56.62 -16.19 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' HB2' ' A' ' 100' ' ' ARG . . . -92.1 -18.33 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' SER . 18.0 m -74.99 168.92 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.25 158.42 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.599 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.58 141.17 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.1 mtmt -137.17 158.38 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -135.41 138.69 47.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -116.77 -166.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 50.4 m -74.97 107.69 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 93.6 m-20 59.53 29.1 18.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 36' ' ' ILE . 9.0 m -152.54 139.93 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.727 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -105.13 129.26 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.724 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -99.48 146.21 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.532 HG21 ' CE1' ' A' ' 58' ' ' PHE . 17.8 mm -139.47 90.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 33' ' ' LYS . 1.5 mt -76.5 134.27 39.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.571 ' HB3' HG21 ' A' ' 81' ' ' ILE . 92.6 m -119.46 105.35 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.63 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -57.8 104.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.56 ' HA ' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -58.37 132.2 52.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.05 -39.35 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.68 118.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -63.89 168.48 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 62.46 53.3 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 m -139.13 127.74 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.17 148.27 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.8 m0 -117.24 102.84 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 84.0 m-20 -65.05 -18.61 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.583 ' H ' HD22 ' A' ' 78' ' ' LEU . 58.0 m-85 -161.84 148.26 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.573 HD13 HG23 ' A' ' 112' ' ' THR . 0.6 OUTLIER -52.0 -47.01 65.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.573 HG23 HD13 ' A' ' 111' ' ' LEU . 32.1 p -125.85 173.72 8.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.45 -30.05 62.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 56.1 t -49.75 -66.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.51 -49.99 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -50.63 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -38.85 -67.39 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.8 t -45.01 -61.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 4.2 mmpt? -41.14 -58.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -96.52 92.59 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -66.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.0 m -72.74 137.85 46.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 110.054 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -139.91 -145.68 4.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 105.87 2.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 m 63.8 106.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -98.04 93.5 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -134.17 116.05 14.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.74 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.03 -131.88 1.37 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -132.72 104.68 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.36 126.99 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.954 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.72 158.04 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -129.23 148.31 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.2 154.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.79 100.98 54.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.477 ' O ' HG23 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.98 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.432 1.753 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.63 122.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' PRO . 37.0 p -123.21 116.41 23.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 p 44.3 -152.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.89 145.03 11.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -64.17 -173.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.601 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -92.23 147.55 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.6 t -76.88 154.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.62 115.11 29.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.829 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.6 mt -72.93 90.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -75.44 -61.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.84 120.24 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 27.9 p90 -149.3 131.99 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.47 136.19 15.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.513 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 30.2 p-90 -143.18 144.96 32.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -132.38 -170.4 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 108' ' ' TRP . 3.7 pt20 -161.98 146.3 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -141.07 146.97 37.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 3.6 m-20 -63.37 77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 169.76 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.622 ' CE1' ' NH1' ' A' ' 100' ' ' ARG . 28.8 m-85 -156.55 166.46 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.7 t -109.46 143.87 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.709 ' HD2' HD13 ' A' ' 96' ' ' LEU . 9.7 ttpt -145.92 147.55 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.673 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -125.02 151.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.68 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -131.77 115.08 15.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.741 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -112.76 145.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 m -92.95 104.82 17.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.09 99.43 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.408 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -73.58 117.19 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 115.22 -24.06 10.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.2 p -58.12 -20.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -87.9 -11.64 47.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -99.14 -30.43 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 64' ' ' ASN . 28.2 m -71.83 154.31 92.83 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.3 t -75.2 -3.62 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.17 -26.01 23.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.438 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 61.8 m-20 -83.82 -19.35 35.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -106.98 112.28 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -120.79 114.7 22.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -130.07 133.64 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.389 1.056 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.419 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.6 t-160 -122.45 138.03 54.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 49.3 m-85 -106.95 148.57 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.472 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 60.4 p -132.08 -164.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.5 pt-20 -78.62 -37.88 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . 21.3 mmm-85 -144.17 65.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 4.1 p 160.59 164.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.82 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -159.38 127.76 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.715 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.5 p-10 -106.31 143.15 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -140.44 116.64 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.817 HD22 ' H ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -108.32 151.14 26.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.817 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.9 t -146.77 107.64 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.97 162.72 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.679 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.0 t-20 40.95 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.554 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -128.52 -132.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' N ' HD12 ' A' ' 65' ' ' LEU . 2.7 t30 -71.89 71.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.71 62.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 ptpt -164.84 -175.8 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.601 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.8 m -124.25 151.8 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.623 ' CD2' HD21 ' A' ' 38' ' ' LEU . 52.6 m-85 -131.03 148.43 52.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 56.5 p -134.91 142.49 46.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.829 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -150.79 121.09 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -137.9 144.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.82 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.61 121.48 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.3 m-80 -121.13 132.45 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.0 m-20 85.8 81.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.63 HD21 ' CG2' ' A' ' 74' ' ' VAL . 96.5 mt -95.61 131.99 41.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.591 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.2 tp -37.56 -51.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.5 mmtt -122.34 161.66 42.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.03 168.45 24.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -147.06 140.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 127.8 33.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 38.6 t -74.79 -68.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -48.45 -23.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.62 -30.49 9.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.519 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 4.4 m -59.05 161.28 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -160.68 157.31 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.41 ' CD ' ' C ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -118.02 133.6 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -122.65 156.76 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 95' ' ' VAL . 91.2 t -133.78 125.77 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.93 -169.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.4 m -72.17 115.52 11.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 76.7 m-20 54.23 20.19 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 36' ' ' ILE . 18.0 m -145.68 146.16 31.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.39 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 60' ' ' LEU . 6.7 p -116.95 127.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.709 HD13 ' HD2' ' A' ' 33' ' ' LYS . 5.4 mt -96.43 145.95 25.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' A' ' 60' ' ' LEU . 24.5 mm -128.61 87.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.515 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.44 116.65 16.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 37.0 m -119.57 113.56 20.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.676 ' O ' HG22 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -61.07 150.12 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.701 ' HZ1' ' HE1' ' A' ' 108' ' ' TRP . 2.1 mttm -103.01 130.71 50.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -69.9 -21.32 63.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.0 117.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -73.61 165.85 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 70.11 48.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.491 ' HB ' ' HZ2' ' A' ' 101' ' ' LYS . 1.2 m -139.88 145.37 37.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.01 135.78 53.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.701 ' HE1' ' HZ1' ' A' ' 101' ' ' LYS . 19.8 m0 -97.88 103.76 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 108.047 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 1.9 m-20 -62.97 -21.26 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.591 ' H ' HD22 ' A' ' 78' ' ' LEU . 72.8 m-85 -157.12 128.74 7.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.513 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -38.63 -42.4 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.538 HG22 HD23 ' A' ' 77' ' ' LEU . 11.5 p -132.62 161.6 33.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.5 ' HG2' HD12 ' A' ' 78' ' ' LEU . 22.7 mt-30 -65.53 -38.16 88.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.633 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.6 p -41.33 -60.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.633 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.4 OUTLIER -47.04 -48.26 22.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -55.27 -72.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' LYS . 11.5 mm-40 -37.59 -61.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -53.23 -61.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.317 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -39.79 -53.93 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG3' ' CE ' ' A' ' 116' ' ' LYS . 2.2 mm-40 -97.99 -151.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt 65.78 154.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.46 88.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.61 -131.93 1.34 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.1 t -101.89 85.62 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.85 128.47 48.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.939 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.21 -58.32 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -139.46 126.07 20.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.03 152.36 5.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.583 1.177 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -179.2 154.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.942 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 m -128.11 -60.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.81 137.63 2.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 p -130.69 148.68 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.4 p -102.68 124.02 56.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.16 154.99 82.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.657 ' O ' HG23 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.02 179.36 6.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.94 103.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 11' ' ' PRO . 72.8 p -123.58 112.7 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.3 p 45.06 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.88 -65.97 0.5 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.577 ' C ' ' CD1' ' A' ' 16' ' ' TYR . 1.1 p90 -130.83 151.85 50.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.665 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -125.52 147.32 49.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.435 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 35.8 t -76.27 151.06 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -102.59 114.25 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.894 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.6 mt -73.3 84.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -44.42 45.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.17 119.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 33.7 p90 -149.78 137.55 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.53 126.38 8.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 19.8 p-90 -129.25 150.37 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -162.92 130.85 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.5 pp0? -143.61 164.31 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -140.78 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.87 83.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER 172.8 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CE1' ' HD3' ' A' ' 100' ' ' ARG . 63.9 m-85 -152.17 169.05 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.468 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 17.1 t -116.93 136.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -146.67 140.66 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.672 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -119.25 148.48 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.808 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -130.24 106.64 8.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -103.76 147.81 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -94.49 103.03 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.822 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -133.74 102.71 5.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.79 113.68 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 118.26 -22.34 9.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 38' ' ' LEU . 15.0 p -55.65 -29.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -111.31 -25.66 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.707 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.5 m -83.66 151.86 62.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 174.5 12.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.6 t -76.71 -3.62 38.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -23.3 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -92.99 -11.26 33.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 88' ' ' LYS . 4.3 t -109.27 111.1 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.2 tp60 -121.87 106.85 11.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -124.81 133.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.426 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -125.11 128.87 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 15.7 m-85 -98.39 147.36 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 57' ' ' SER . 11.4 p -129.52 -164.95 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -75.79 -41.0 54.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.6 54.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.673 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.9 173.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.768 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.74 127.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.3 p-10 -105.32 153.52 21.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.83 114.24 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -100.27 148.48 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG1' HD22 ' A' ' 65' ' ' LEU . 65.3 t -147.28 101.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -105.53 163.7 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.707 ' O ' HG11 ' A' ' 44' ' ' VAL . 16.3 t-20 40.21 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.557 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -127.58 -126.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.82 73.82 5.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.22 20.03 62.49 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -167.19 -173.15 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.665 ' HB3' HG23 ' A' ' 17' ' ' THR . 70.4 m -125.67 155.73 40.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.2 m-85 -131.77 151.55 51.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 18.0 p -137.82 139.82 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.894 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -147.53 118.54 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.4 HD13 ' HB3' ' A' ' 59' ' ' ASP . 6.6 mt -135.75 145.71 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.768 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.07 122.29 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 10.5 m120 -119.51 129.4 54.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.1 m-20 83.22 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.716 HD21 ' CG2' ' A' ' 74' ' ' VAL . 56.2 mt -98.65 132.11 44.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.766 HD11 ' HD3' ' A' ' 116' ' ' LYS . 10.3 tp -38.54 -46.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 8.5 mmtt -128.77 160.21 64.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.476 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 165.73 30.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 0.9 OUTLIER -140.64 143.02 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 99.02 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 53.8 t -41.85 -54.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' VAL . 36.9 mt-10 -39.07 -52.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 100' ' ' ARG . . . -75.28 -33.08 54.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.523 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 19.1 m -48.53 111.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.447 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -128.81 170.78 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.58 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -130.44 141.35 50.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 96' ' ' LEU . 7.4 mtmt -133.85 165.24 25.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.24 123.8 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -113.96 168.04 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 91.7 m -45.36 116.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 92' ' ' THR . 4.3 p30 45.46 39.47 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 36' ' ' ILE . 54.7 m -158.85 147.86 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.677 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -118.92 120.23 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.808 HD21 ' CD2' ' A' ' 35' ' ' TYR . 2.5 mt -93.14 142.44 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 58' ' ' PHE . 11.5 mm -132.18 90.94 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.02 123.62 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 81' ' ' ILE . 14.1 m -120.76 111.5 17.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -57.49 146.62 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.36 127.52 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -66.86 -32.98 74.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.29 117.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.08 -179.94 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.28 39.98 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.4 m -133.5 100.53 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.84 151.52 47.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.8 m0 -117.2 97.65 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.0 m-20 -68.44 -11.48 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.562 ' CD2' ' HB2' ' A' ' 116' ' ' LYS . 77.3 m-85 -162.22 152.38 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.462 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -67.51 -35.12 78.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 9.9 p -138.39 154.59 48.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 114' ' ' VAL . 34.3 mt-30 -57.98 -42.62 85.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.666 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.5 p -38.6 -61.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.666 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -47.6 -53.16 15.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.766 ' HD3' HD11 ' A' ' 78' ' ' LEU . 16.4 ttpt -51.26 -67.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -44.88 -35.99 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 56.5 m -70.44 -68.23 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -53.38 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -91.7 -168.95 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.92 136.33 55.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.7 m -100.18 138.91 36.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.44 105.77 0.98 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.31 73.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.0 t -77.57 115.1 17.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.436 -0.209 . . . . 0.0 110.436 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.3 t -75.74 149.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.14 116.89 33.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 72' ' ' MET . 30.7 mt -76.45 94.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.53 -57.49 3.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.02 119.91 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 33.7 p90 -149.31 130.94 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -80.57 138.26 19.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.58 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.7 p-90 -144.28 149.16 35.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -144.55 152.36 40.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.58 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -133.73 145.16 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 152.76 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 34.3 m-20 -64.25 78.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 170.53 -54.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 50.3 m-85 -156.02 169.85 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.38 141.62 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.541 ' CG ' HD22 ' A' ' 96' ' ' LEU . 17.5 ttpt -145.72 143.45 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.643 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -118.37 150.63 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.775 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -134.24 112.28 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -111.09 148.54 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -92.42 104.2 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.754 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.8 103.37 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.52 108.98 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 123.5 -21.9 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.4 p -59.15 -21.96 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -89.74 2.49 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -113.34 -27.56 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.628 HG11 ' O ' ' A' ' 64' ' ' ASN . 23.5 m -76.22 152.98 84.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -73.75 -3.81 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 3.9 pt-20 -85.09 -25.71 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 86.5 m-20 -89.03 -10.88 45.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.4 t -111.08 104.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -116.43 113.18 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.27 138.65 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.413 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 55.9 t60 -128.07 132.13 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.647 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.472 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 20.3 m-85 -100.43 147.82 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 57' ' ' SER . 10.1 p -129.53 -165.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 1.4 pt-20 -77.21 -39.5 48.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 10.9 mmm-85 -142.5 54.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.677 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.03 174.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.829 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.53 127.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.646 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.2 p-10 -105.94 145.57 31.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.618 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.91 115.83 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.8 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -108.59 149.49 28.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.8 ' H ' HD22 ' A' ' 61' ' ' LEU . 93.1 t -144.32 112.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.7 163.45 13.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.628 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.0 t-20 41.0 90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.4 -130.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.37 73.71 4.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 21.36 68.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.529 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -171.69 -179.65 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.59 ' HB3' HG23 ' A' ' 17' ' ' THR . 60.7 m -121.28 153.13 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 34.5 m-85 -128.42 151.16 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 60.1 p -136.74 143.77 43.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.628 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.5 ttm -151.11 119.37 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.47 144.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.829 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.87 120.7 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 67.3 m-80 -115.83 126.57 54.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.7 m-20 84.19 97.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 74' ' ' VAL . 65.6 mt -107.56 133.89 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' ' 108' ' ' TRP . 10.3 tp -39.19 -50.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 20.2 mmtt -124.44 158.68 60.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.489 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.97 167.04 27.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -144.09 159.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -91.3 121.14 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.463 HG22 ' C ' ' A' ' 53' ' ' PHE . 55.3 t -67.08 -68.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.36 -40.65 2.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.2 -31.95 40.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.9 m -57.09 141.69 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -144.02 159.03 43.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.541 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -122.34 143.22 49.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -134.85 164.45 27.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.55 126.39 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 3.5 ptpt -111.09 176.78 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.2 m -55.23 119.04 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 44.79 33.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.4 m -154.86 144.92 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.618 HG21 HD11 ' A' ' 60' ' ' LEU . 7.1 p -113.42 130.37 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.775 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -103.83 145.09 30.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' ' 96' ' ' LEU . 15.0 mm -135.86 90.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' SER . 4.3 mt -76.32 120.87 22.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -119.96 112.61 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.8 mmp_? -57.37 148.06 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -95.3 115.76 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -58.88 -26.02 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -149.88 112.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -67.46 174.22 3.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 57.06 58.21 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.491 HG21 ' HD2' ' A' ' 79' ' ' LYS . 1.4 m -147.18 146.99 30.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.24 147.68 29.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.581 ' HA ' HD23 ' A' ' 78' ' ' LEU . 14.0 m0 -115.37 100.5 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.3 m-20 -66.79 -18.36 65.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 61.8 m-85 -162.58 133.65 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -41.89 -46.12 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.432 HG22 HD23 ' A' ' 77' ' ' LEU . 23.6 p . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.39 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' SER . 30.8 t -76.27 151.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 115.17 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.831 HD12 ' HB2' ' A' ' 72' ' ' MET . 19.3 mt -72.63 109.5 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -65.41 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.02 120.06 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.642 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 22.7 p90 -148.46 133.68 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.592 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -83.8 136.63 15.12 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.572 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 36.7 p-90 -143.87 144.42 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.82 168.93 18.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.572 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.2 pm0 -147.72 144.63 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.28 151.73 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -64.38 77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER 171.26 -54.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 51.3 m-85 -155.48 166.86 32.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.79 141.69 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.1 ttpt -145.95 148.89 33.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -122.19 149.69 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.762 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -133.39 104.04 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -101.35 147.26 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -92.58 103.75 16.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.813 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.34 99.4 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.75 111.82 10.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.37 -24.18 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 38' ' ' LEU . 12.0 p -57.06 -20.03 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -89.47 -4.13 58.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -103.19 -22.8 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.1 m -82.29 151.65 66.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -74.43 -3.87 33.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.4 -23.42 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 78.6 m-20 -93.63 -21.67 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.52 92.25 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.36 110.59 22.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.47 137.43 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.406 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 74.4 t60 -125.74 135.81 52.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 28.9 m-85 -103.95 144.75 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 57' ' ' SER . 25.1 p -127.83 -164.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -77.11 -41.71 40.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.46 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 3.5 mmm180 -141.3 54.78 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.68 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 175.6 172.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.39 127.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.1 p-10 -106.07 148.49 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.832 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.49 114.31 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.841 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.52 150.35 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.841 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.4 t -145.58 106.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -101.54 163.81 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.525 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.0 t-20 40.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.656 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -121.3 -122.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.42 76.96 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.27 19.06 68.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -169.71 -169.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.566 ' HB2' HG23 ' A' ' 17' ' ' THR . 32.2 p -133.23 152.2 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.581 ' CD2' HD21 ' A' ' 38' ' ' LEU . 7.0 m-85 -129.58 148.54 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' VAL . 28.0 p -134.82 140.06 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.831 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -144.88 120.42 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.31 145.02 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.03 123.11 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 35.0 m-80 -120.33 129.08 53.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.1 m-20 84.61 86.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' A' ' 74' ' ' VAL . 57.3 mt -97.76 132.46 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.626 HD22 ' H ' ' A' ' 110' ' ' TYR . 8.4 tp -39.9 -49.1 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.6 mmtt -123.66 159.02 57.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.46 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.96 167.26 27.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.691 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -150.43 141.22 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 142.18 50.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 ' C ' ' A' ' 53' ' ' PHE . 40.4 t -87.41 -68.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -49.06 -23.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.94 -29.51 11.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.5 m -62.95 162.02 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -155.74 160.18 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.23 141.04 51.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.5 mtmt -139.06 160.69 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 95' ' ' VAL . 88.3 t -134.58 128.09 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -108.15 177.13 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.1 m -59.32 118.28 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 49.03 32.96 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.8 m -157.6 142.56 16.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.832 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -109.97 129.4 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.2 mt -100.69 147.66 25.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 96' ' ' LEU . 13.7 mm -137.05 90.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 5.6 mt -77.01 120.14 21.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.1 113.75 20.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.691 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.7 mmp_? -58.56 148.56 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -100.02 117.94 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -58.01 -29.18 65.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.39 118.46 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.44 -179.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 49.77 56.97 7.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.531 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.7 m -140.75 146.69 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.24 155.85 18.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.8 m0 -124.61 97.94 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -67.7 -15.78 63.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.626 ' H ' HD22 ' A' ' 78' ' ' LEU . 69.7 m-85 -162.43 151.18 14.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -64.03 -36.15 83.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.507 HG23 HD13 ' A' ' 111' ' ' LEU . 19.3 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.591 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' SER . 25.7 t -76.46 151.11 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.95 118.04 35.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.799 HD12 ' HB2' ' A' ' 72' ' ' MET . 25.1 mt -77.88 96.66 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -80.81 -63.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.39 120.35 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 31.9 p90 -149.2 127.25 11.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -74.6 139.53 25.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 42.2 p-90 -148.01 144.15 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -139.05 174.81 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' N ' ' OE1' ' A' ' 27' ' ' GLN . 13.1 pm0 -152.63 144.67 23.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 74.9 m -140.17 154.68 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 43.9 m-20 -64.53 77.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 3.2 mtmt 170.22 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 49.3 m-85 -156.21 168.04 28.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.5 t -121.41 143.82 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 5.7 ptmt -145.78 158.02 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.835 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.7 mp -127.17 145.61 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -124.26 112.56 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.751 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -111.42 145.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 m -90.87 104.76 17.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.88 99.57 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -73.27 123.54 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 106.54 -22.51 30.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.6 p -56.33 -23.97 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.53 1.18 50.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.58 -37.53 4.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.4 m -65.16 153.12 90.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 169.8 21.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 -3.77 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -83.37 -24.95 31.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.43 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 15.9 m-20 -89.82 -21.14 22.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.06 97.96 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -112.27 113.8 26.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.06 137.21 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 59.3 t60 -125.41 136.82 53.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 31.0 m-85 -104.91 145.91 29.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.498 ' CA ' HG22 ' A' ' 83' ' ' VAL . 20.1 p -128.46 -164.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.7 pt-20 -77.52 -41.22 39.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' SER . 12.5 mmm-85 -141.57 55.21 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.736 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.1 p 175.01 173.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.831 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.7 127.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.546 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.0 p-10 -107.14 144.41 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.753 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -140.37 114.16 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.813 HD13 ' N ' ' A' ' 62' ' ' VAL . 1.5 tm? -105.62 149.41 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.813 ' N ' HD13 ' A' ' 61' ' ' LEU . 92.1 t -146.74 113.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.658 ' HE3' HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -113.31 159.33 19.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.668 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.9 OUTLIER 44.66 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -129.99 -135.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.419 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.2 t-20 -70.88 70.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.01 20.1 68.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -169.17 175.82 5.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.591 ' HB2' HG23 ' A' ' 17' ' ' THR . 23.6 p -118.05 154.83 31.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.636 ' CG ' HD21 ' A' ' 38' ' ' LEU . 29.8 m-85 -130.93 151.08 51.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' VAL . 66.6 p -134.89 143.67 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.799 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -152.2 120.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 mt -138.55 143.57 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.831 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.9 119.16 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 10.7 m-80 -113.61 127.32 56.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.1 m-20 83.14 98.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.736 HD12 ' N ' ' A' ' 57' ' ' SER . 53.6 mt -105.83 133.7 50.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.595 HD22 ' H ' ' A' ' 110' ' ' TYR . 11.7 tp -40.25 -48.77 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 13.5 mmtt -122.94 159.05 55.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.442 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.54 28.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -149.43 143.55 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 134.44 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.498 HG22 ' CA ' ' A' ' 54' ' ' THR . 49.9 t -80.22 -68.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.05 -20.33 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.91 -31.3 8.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.2 m -62.24 155.24 25.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.433 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -148.79 162.35 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.489 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.07 134.29 54.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mtmm -130.03 161.35 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.4 t -135.02 133.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.32 -172.85 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -67.09 107.87 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 58.78 26.52 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 m -147.32 148.76 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 60' ' ' LEU . 6.2 p -117.35 121.15 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -95.92 132.54 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.519 HD11 ' CD1' ' A' ' 60' ' ' LEU . 15.9 mm -117.95 90.39 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 33' ' ' LYS . 29.4 mt -73.42 121.77 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.1 m -120.35 113.95 21.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.6 mmp_? -59.65 148.19 34.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -99.94 123.77 44.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -70.41 -26.66 63.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.4 t -140.88 127.66 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -74.0 177.2 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 42.34 56.23 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.527 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.6 m -132.24 132.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.83 146.49 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.531 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.5 m0 -112.82 103.75 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 107.987 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 3.1 m-20 -65.02 -21.72 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.595 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -160.71 147.6 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.9 OUTLIER -50.25 -45.34 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.49 HG23 HD13 ' A' ' 111' ' ' LEU . 36.9 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.536 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.508 HG21 ' HE2' ' A' ' 68' ' ' LYS . 39.9 t -76.72 154.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -106.26 118.94 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.841 HD12 ' HB2' ' A' ' 72' ' ' MET . 33.2 mt -76.38 108.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 69.7 m -90.8 -62.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.85 119.83 24.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 29.0 p90 -149.47 128.14 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.6 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -78.46 140.49 23.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.594 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.3 p-90 -144.43 148.33 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -144.83 146.44 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.594 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -128.64 144.59 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 m -140.37 152.15 45.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 77.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 171.28 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 52.6 m-85 -155.74 166.14 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.21 142.0 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 18.8 ttpt -145.78 149.85 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.629 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -124.11 148.43 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.76 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -133.42 106.37 7.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 94' ' ' THR . 2.9 mp -103.9 147.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -93.31 104.82 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.436 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD12 HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -136.87 102.19 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.83 108.25 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.03 -25.49 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.8 p -56.99 -20.36 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -89.73 1.79 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -108.79 -19.69 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 64' ' ' ASN . 24.4 m -85.97 152.05 55.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.36 20.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -74.16 -3.75 31.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.7 pt-20 -83.68 -24.72 31.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 70.1 m-20 -89.66 -25.21 21.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 46.3 t -96.05 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -115.96 111.37 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.31 131.15 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.8 t-160 -120.59 132.68 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.4 m-85 -101.01 147.13 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 57' ' ' SER . 24.8 p -129.84 -164.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.1 pt-20 -77.02 -42.36 38.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 13.2 mmm-85 -140.39 54.98 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.764 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 176.03 170.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.84 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -167.62 127.41 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.1 p-10 -107.2 148.9 28.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.821 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.11 114.71 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.84 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -109.52 150.66 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.84 ' H ' HD22 ' A' ' 61' ' ' LEU . 62.5 t -145.15 104.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.63 162.23 13.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.544 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.1 t-20 39.06 89.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.725 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -118.4 -115.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -98.3 79.29 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.92 15.31 64.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -168.64 -169.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.536 ' CB ' HG23 ' A' ' 17' ' ' THR . 50.0 m -131.22 153.63 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.531 ' CD2' HD21 ' A' ' 38' ' ' LEU . 9.3 m-85 -129.17 149.66 50.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.9 p -136.07 142.68 44.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.841 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -148.96 118.19 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -133.75 145.17 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.84 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.7 122.9 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 27.0 m120 -119.75 133.22 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.6 m-20 81.65 83.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 57' ' ' SER . 61.3 mt -92.6 129.41 38.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.637 HD22 ' H ' ' A' ' 110' ' ' TYR . 5.0 tp -37.75 -46.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.7 mmtt -127.41 160.21 61.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.14 31.9 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.32 145.82 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -78.26 130.89 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.986 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' SER . 49.2 t -78.33 -68.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.52 -25.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.48 -30.5 9.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.6 m -62.13 150.32 38.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -144.7 162.6 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.16 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -139.33 159.41 42.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.495 HG22 HG23 ' A' ' 95' ' ' VAL . 47.5 t -134.74 126.37 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -107.34 177.55 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.5 m -58.31 121.94 12.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 44.9 29.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 36' ' ' ILE . 23.4 m -153.07 142.04 21.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 60' ' ' LEU . 6.4 p -110.96 130.21 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.76 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -101.92 147.56 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' A' ' 60' ' ' LEU . 14.7 mm -136.49 89.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.474 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.92 118.67 18.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 14.9 m -120.12 112.04 18.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.679 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.1 mmp_? -57.73 148.79 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.431 ' CE ' ' NE1' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -99.9 121.91 42.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -67.66 -26.42 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -140.74 124.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.14 178.33 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 40.39 58.23 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.492 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.3 m -135.49 126.48 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 151.54 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.0 m0 -120.74 98.04 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 61.2 m-20 -63.94 -19.09 64.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.637 ' H ' HD22 ' A' ' 78' ' ' LEU . 88.9 m-85 -158.54 138.55 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.557 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -49.18 -36.18 18.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.516 HG21 ' HE2' ' A' ' 68' ' ' LYS . 50.5 t -77.11 155.08 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.04 125.1 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.887 HD12 ' HB2' ' A' ' 72' ' ' MET . 32.0 mt -82.88 95.16 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -79.67 -59.89 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.13 119.99 26.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 29.0 p90 -149.43 130.9 14.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.32 138.75 18.9 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.563 1.165 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 40.6 p-90 -144.72 147.38 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -144.96 147.63 32.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.578 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 19.7 pm0 -124.88 147.78 48.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.14 151.21 45.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.8 m-20 -63.89 79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 8.9 mttt 168.9 -54.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.3 m-85 -155.71 168.09 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -114.31 140.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.607 ' CG ' HD22 ' A' ' 96' ' ' LEU . 12.1 ttpt -144.82 145.61 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.615 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.6 mp -119.82 151.57 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.785 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -135.33 109.12 8.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.757 ' O ' HG23 ' A' ' 94' ' ' THR . 3.2 mp -108.2 153.32 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -96.93 104.38 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.726 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -136.6 100.43 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -72.67 123.39 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.421 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 107.44 -22.8 28.08 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -58.15 -18.09 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -92.38 -5.02 52.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -107.31 -26.12 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.7 m -72.23 155.29 91.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.23 23.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.33 -4.61 40.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -86.57 -26.87 24.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 76.3 m-20 -86.11 -15.21 41.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -109.29 97.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.91 113.81 26.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.0 135.64 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.425 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 67.5 t60 -123.99 134.56 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 51.7 m-85 -103.86 147.43 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.459 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 34.3 p -129.22 -164.84 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 3.6 pt-20 -78.21 -39.79 39.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.73 60.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.614 ' N ' HD12 ' A' ' 77' ' ' LEU . 4.0 p 166.21 172.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.787 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -167.21 127.97 1.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 5.0 p-10 -106.71 139.58 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.747 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -136.04 113.61 10.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.865 HD22 ' H ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -103.9 149.22 25.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.865 ' H ' HD22 ' A' ' 61' ' ' LEU . 94.0 t -147.15 112.39 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -110.78 167.08 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.501 ' O ' HG11 ' A' ' 44' ' ' VAL . 1.7 t-20 38.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.539 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -125.95 -130.68 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.46 72.44 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.87 19.97 66.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -166.94 -176.18 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.6 ' HB3' HG23 ' A' ' 17' ' ' THR . 50.7 m -125.88 151.49 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.953 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.676 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.4 m-85 -130.6 147.95 52.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.5 p -133.44 141.57 47.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.887 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.1 ttt -148.35 118.99 7.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.9 mt -136.19 144.86 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.787 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.05 121.65 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 34.0 m-20 -117.21 129.12 55.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.4 m-20 82.24 93.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.768 HD21 ' CG2' ' A' ' 74' ' ' VAL . 39.7 mt -104.46 134.99 46.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.519 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.3 tp -38.89 -47.88 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 15.8 mmtt -124.91 158.62 62.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.478 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.32 29.41 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.794 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.93 138.95 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 131.44 44.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 45.8 t -76.64 -67.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.44 -22.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.77 -31.01 8.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.523 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.8 m -60.26 158.08 12.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.465 ' O ' ' CZ ' ' A' ' 53' ' ' PHE . 1.1 m -153.23 162.48 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -125.48 137.72 53.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -134.46 162.47 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 95' ' ' VAL . 31.2 t -135.04 136.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.33 -178.36 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -59.35 118.77 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.5 p30 45.03 32.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 36' ' ' ILE . 29.1 m -153.28 144.69 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 60' ' ' LEU . 6.9 p -113.91 128.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.785 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -99.3 145.23 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 60' ' ' LEU . 21.7 mm -133.67 90.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.422 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.0 mt -77.11 119.34 20.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.7 m -119.0 110.44 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 108.331 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.696 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.8 mmp_? -58.57 148.49 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -98.56 135.25 40.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -73.8 -24.47 59.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.98 118.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.45 175.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 53.55 54.63 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.525 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.8 m -138.07 129.67 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.43 155.11 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.357 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.0 m0 -123.84 96.94 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 33.2 m-20 -64.14 -19.19 65.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 89.1 m-85 -162.79 141.96 8.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.494 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -50.21 -42.11 50.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -77.16 155.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.47 123.25 47.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.873 HD12 ' HB2' ' A' ' 72' ' ' MET . 28.9 mt -82.57 82.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.8 t -74.84 -37.1 62.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -104.38 120.2 40.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 38.2 p90 -149.5 138.05 20.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.15 128.47 9.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 27.6 p-90 -129.35 148.81 51.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -161.41 132.65 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 3.9 pp0? -140.93 167.79 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -140.0 172.09 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.91 77.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.1 mtmp? 176.66 -55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.5 m-85 -151.15 170.97 18.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 48.7 t -120.35 137.07 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.526 ' CG ' HD22 ' A' ' 96' ' ' LEU . 18.8 ttpt -146.88 148.31 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.673 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -123.59 149.45 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.81 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -131.19 105.5 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -102.71 146.42 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.44 101.25 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.806 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -131.59 107.25 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -78.26 121.21 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.442 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 108.86 -21.7 27.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.806 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.7 p -56.75 -21.29 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -90.38 1.42 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.622 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -113.75 -21.81 10.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.657 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.4 m -81.0 154.17 72.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.436 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.03 168.5 24.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -75.02 -4.68 39.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.66 -25.17 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.436 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 69.8 m-20 -85.0 -14.78 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.436 HG11 ' CE ' ' A' ' 88' ' ' LYS . 21.8 t -106.94 108.54 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -117.18 113.58 22.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -131.61 136.76 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.7 t-160 -124.83 135.59 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.49 ' C ' HG22 ' A' ' 83' ' ' VAL . 28.9 m-85 -102.03 146.31 28.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 57' ' ' SER . 2.5 p -128.73 -166.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -79.88 -36.89 35.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 15.8 mmm-85 -143.93 52.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.688 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.1 p 176.29 175.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.854 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.03 127.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 p-10 -105.86 145.41 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.757 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.64 116.78 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.791 HD13 ' C ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -110.42 148.34 32.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.764 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.7 t -142.19 109.4 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -105.46 159.88 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.657 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.4 t-20 44.27 94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.544 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -131.7 -136.15 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.1 t-20 -69.53 70.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . 65.34 20.63 67.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.495 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -169.29 177.5 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.65 ' HB2' HG23 ' A' ' 17' ' ' THR . 6.8 p -118.78 154.8 32.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.586 ' CG ' HD21 ' A' ' 38' ' ' LEU . 30.6 m-85 -132.0 145.86 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.7 p -130.15 142.26 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.873 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -149.3 122.21 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -137.33 145.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.854 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.06 122.4 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 7.4 m-80 -116.72 127.12 54.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 83.06 96.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.701 HD21 HG21 ' A' ' 74' ' ' VAL . 43.6 mt -104.5 135.46 45.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.617 HD22 ' H ' ' A' ' 110' ' ' TYR . 11.3 tp -38.91 -48.76 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.6 mmtt -128.07 159.96 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.486 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.5 Cg_endo -74.94 167.41 27.13 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.0 154.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -89.19 104.47 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.49 HG22 ' C ' ' A' ' 53' ' ' PHE . 35.8 t -49.7 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' VAL . 38.8 mt-10 -38.76 -51.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.38 -33.53 72.96 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' SER . 14.7 m -50.06 151.25 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -156.04 158.6 38.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.59 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -120.4 142.55 49.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -136.92 163.23 31.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.4 t -135.44 139.03 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.7 -172.62 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.9 m -65.84 106.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 56.28 36.39 27.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 36' ' ' ILE . 18.9 m -156.73 140.69 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.757 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -108.24 125.36 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.4 mt -98.2 141.6 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 60' ' ' LEU . 16.9 mm -129.5 91.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.7 mt -78.01 118.22 20.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.433 ' HB3' HG21 ' A' ' 81' ' ' ILE . 2.1 m -119.64 108.04 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.706 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.5 mmp_? -57.29 147.59 25.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -90.24 130.19 36.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.486 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -70.01 -26.32 64.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 103' ' ' VAL . 1.7 m -150.19 111.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.13 -179.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 44.53 65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.426 HG21 ' HD2' ' A' ' 79' ' ' LYS . 1.3 m -159.09 98.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 149.62 49.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.567 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.0 m0 -111.0 92.88 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.961 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.412 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 76.6 m-20 -54.66 -23.63 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.617 ' H ' HD22 ' A' ' 78' ' ' LEU . 72.1 m-85 -157.06 149.96 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -55.77 -53.53 55.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.564 HG22 HD23 ' A' ' 77' ' ' LEU . 25.3 p . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.451 HG23 ' OG ' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.7 t -76.25 155.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.25 123.85 48.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.875 HD12 ' HB2' ' A' ' 72' ' ' MET . 32.5 mt -83.92 91.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -78.27 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.58 119.55 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 25.1 p90 -149.55 132.58 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.67 135.2 13.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 46.9 p-90 -141.99 148.3 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.473 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -144.94 150.88 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.532 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -129.74 145.63 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -139.99 151.02 45.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 69.0 m-20 -63.69 78.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 169.94 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 54.5 m-85 -156.07 165.78 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.52 142.01 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 22.5 ttpt -145.55 149.2 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.634 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -124.79 147.82 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.765 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -131.13 108.48 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.778 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -106.43 147.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.87 103.86 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.68 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -134.96 99.7 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.3 110.91 10.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.45 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 122.86 -25.19 6.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.8 p -56.87 -23.94 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -88.0 2.77 50.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -113.6 -25.83 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.723 HG11 ' O ' ' A' ' 64' ' ' ASN . 27.6 m -78.17 154.24 79.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 168.96 23.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.9 t -74.06 -3.67 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.73 -13.28 48.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 32.7 m-20 -104.76 2.13 29.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.95 101.66 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.69 114.71 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -134.42 139.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-160 -129.92 133.58 46.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.651 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 18.7 m-85 -101.38 146.11 28.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 57' ' ' SER . 12.2 p -128.19 -166.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.2 pt-20 -74.86 -41.79 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 57' ' ' SER . 15.4 mmm-85 -141.4 54.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.661 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.76 174.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.883 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.28 127.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.601 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -103.3 147.39 27.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.63 116.08 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.869 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -109.66 150.93 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.869 ' H ' HD22 ' A' ' 61' ' ' LEU . 83.8 t -144.69 112.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.533 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.16 158.47 17.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.723 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.0 t-20 44.82 94.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.608 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -131.17 -129.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.59 71.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.86 16.84 64.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -165.57 -179.6 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 17' ' ' THR . 65.8 p -121.86 149.16 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -127.14 149.86 49.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' VAL . 55.1 p -133.18 142.78 48.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.875 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.9 OUTLIER -146.67 121.12 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.527 HG12 ' CB ' ' A' ' 59' ' ' ASP . 14.4 mt -134.62 146.65 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -130.34 128.17 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.8 m-20 -127.84 128.67 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.5 m-20 85.21 84.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.677 HD21 HG21 ' A' ' 74' ' ' VAL . 73.5 mt -95.4 131.56 41.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.692 HD23 ' HA ' ' A' ' 108' ' ' TRP . 13.3 tp -39.44 -46.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.725 ' HD2' HG21 ' A' ' 106' ' ' THR . 25.6 mmtt -127.6 159.92 63.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 166.58 28.86 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.09 138.46 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.95 132.95 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' SER . 68.0 t -79.01 -68.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -47.67 -25.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.55 -25.29 21.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.511 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 2.1 m -64.91 156.12 32.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 98' ' ' LEU . 11.4 m -153.64 168.58 25.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.585 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -132.43 145.88 51.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 96' ' ' LEU . 2.5 mtmm -137.84 165.18 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.7 t -134.97 125.95 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.486 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -111.92 172.1 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 96.8 m -50.27 117.77 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.2 p30 44.97 38.55 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.778 HG23 ' O ' ' A' ' 36' ' ' ILE . 25.5 m -159.01 144.9 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 60' ' ' LEU . 5.7 p -113.79 124.32 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.765 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -96.8 145.64 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 96' ' ' LEU . 13.3 mm -136.92 90.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.1 mt -76.31 122.7 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.9 m -119.86 113.94 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.694 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.1 mmp_? -58.39 148.43 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -101.0 124.94 47.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -66.14 -27.77 68.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.48 116.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -66.99 172.3 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 m120 59.01 49.7 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.725 HG21 ' HD2' ' A' ' 79' ' ' LYS . 3.2 m -139.05 106.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.0 44.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.692 ' HA ' HD23 ' A' ' 78' ' ' LEU . 11.6 m0 -119.2 93.94 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.6 OUTLIER -58.87 -18.88 36.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.639 ' H ' HD22 ' A' ' 78' ' ' LEU . 89.2 m-85 -162.46 147.27 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -58.65 -31.93 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.528 HG22 HD23 ' A' ' 77' ' ' LEU . 11.1 p . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.447 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.692 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' SER . 40.4 t -76.93 152.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 118.46 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.817 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.9 mt -77.02 91.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -52.38 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.13 119.68 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 25.5 p90 -150.07 136.3 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.55 130.52 10.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.418 1.074 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.459 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.8 p-90 -132.93 154.82 50.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.596 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -168.52 131.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.554 ' CB ' HG22 ' A' ' 32' ' ' VAL . 2.8 pp0? -136.86 165.32 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.29 170.69 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 22.0 m-20 -65.28 82.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER 169.89 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 52.1 m-85 -150.95 169.91 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG22 ' CB ' ' A' ' 27' ' ' GLN . 41.7 t -120.15 137.93 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 19.9 ttpt -146.26 148.9 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.638 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -125.44 151.63 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.677 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -133.17 107.82 8.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.892 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -105.07 145.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.99 101.32 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.698 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -133.11 105.8 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 1.6 m -79.31 111.07 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.52 -25.78 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.1 p -56.64 -20.75 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -90.26 -1.52 57.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -107.26 -22.25 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.634 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.2 m -82.62 152.06 66.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -74.96 170.55 20.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -73.54 -3.24 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -83.81 -23.81 31.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 97.7 m-20 -93.93 -6.72 44.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 39.3 t -112.54 105.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . 1.6 tp-100 -119.06 106.24 12.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -123.28 131.3 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-80 -120.58 134.9 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.627 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 39.2 m-85 -103.04 144.95 30.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 57' ' ' SER . 21.3 p -127.06 -164.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.7 pt-20 -78.16 -39.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 18.4 mmm-85 -142.01 53.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.703 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 176.15 174.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.38 127.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.4 p-10 -106.76 151.24 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -143.05 113.14 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.882 HD11 ' HD2' ' A' ' 63' ' ' LYS . 3.4 tm? -98.06 146.1 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.669 ' N ' HD13 ' A' ' 61' ' ' LEU . 84.9 t -147.46 102.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.882 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -105.62 166.55 10.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.634 ' O ' HG11 ' A' ' 44' ' ' VAL . 4.1 t-20 38.7 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -123.89 -125.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -82.86 74.56 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.96 19.82 63.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.504 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -165.79 -170.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.692 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.2 m -128.85 157.34 41.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.526 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.9 m-85 -136.45 149.93 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.4 p -136.33 142.24 43.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.817 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -147.62 120.13 8.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.43 144.84 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.804 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -126.76 122.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.54 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.4 m-80 -120.32 130.32 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.3 m-20 85.12 83.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD21 ' CG2' ' A' ' 74' ' ' VAL . 71.9 mt -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.8 tp -39.53 -46.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 12.2 mmtt -127.94 160.66 60.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.97 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.703 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.55 149.16 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 126.64 31.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.459 HG22 ' C ' ' A' ' 53' ' ' PHE . 40.8 t -74.2 -68.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.86 -37.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.09 -32.18 29.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.8 m -55.6 157.16 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.411 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 2.5 m -155.02 161.49 41.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.496 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.62 139.93 53.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -136.85 161.72 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 95' ' ' VAL . 92.6 t -134.31 132.84 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.481 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -114.83 178.37 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 51.5 m -59.22 121.36 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.8 p30 45.64 31.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.892 HG23 ' O ' ' A' ' 36' ' ' ILE . 28.9 m -156.41 146.2 21.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.739 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -114.75 128.26 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -96.59 148.26 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 58' ' ' PHE . 16.7 mm -136.37 90.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -77.14 118.8 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.459 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.8 m -119.86 108.74 14.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.306 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.703 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.0 mmp_? -57.64 147.31 27.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.473 ' HG3' HG23 ' A' ' 32' ' ' VAL . 17.8 mttt -94.87 143.64 26.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -89.5 -27.1 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -145.39 117.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.82 -174.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 40.5 44.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -129.13 103.24 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 141.67 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 11.4 m0 -107.05 100.77 10.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 16.0 m-20 -67.03 -16.78 64.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.527 ' H ' HD22 ' A' ' 78' ' ' LEU . 75.0 m-85 -160.08 157.42 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.597 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -69.46 -28.56 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 15.1 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' SER . 17.7 t -77.84 154.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -107.21 116.04 31.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.576 HD12 ' HB2' ' A' ' 72' ' ' MET . 11.4 mt -75.18 100.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.9 m -86.08 -55.08 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -87.48 120.25 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.614 ' HE1' HD12 ' A' ' 111' ' ' LEU . 18.4 p90 -149.37 137.26 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -86.74 135.94 13.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.3 p-90 -139.15 151.99 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.83 -177.46 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' A' ' 108' ' ' TRP . 21.1 pt20 -163.63 136.41 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.7 t -140.76 128.77 21.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.9 m-20 -41.51 91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.77 -55.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 47.2 m-85 -156.32 166.62 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.98 139.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.59 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.4 ttpt -145.09 148.34 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.5 mp -121.84 149.23 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.818 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -133.45 103.6 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -98.82 146.27 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -93.25 101.78 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.752 HD12 HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -135.42 104.89 6.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.408 ' HA ' ' CG ' ' A' ' 93' ' ' ASP . 1.1 m -79.57 104.25 10.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.423 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 130.91 -28.0 3.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -56.82 -18.08 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 93' ' ' ASP . 21.8 p-80 -90.11 -6.03 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -102.47 -20.92 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.0 m -82.06 150.29 64.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.426 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -75.0 169.92 21.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.4 t -72.31 -8.67 56.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -79.93 -22.0 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 84.2 m-20 -94.63 -19.94 20.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.9 t -99.75 99.64 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -113.29 112.63 24.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.68 135.1 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.418 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 69.7 t60 -124.48 134.27 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.559 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 37.5 m-85 -102.3 144.21 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.5 p -126.98 -167.0 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.3 pt-20 -74.16 -41.82 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 4.5 mmm180 -141.53 59.87 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.72 ' N ' HD12 ' A' ' 77' ' ' LEU . 2.1 p 169.23 170.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.841 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.98 127.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.7 p-10 -105.66 147.16 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.782 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -144.72 115.34 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.792 HD13 ' C ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.72 148.72 30.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.785 ' H ' HD22 ' A' ' 61' ' ' LEU . 85.7 t -144.41 104.38 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.51 163.52 12.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.495 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.5 t-20 40.07 91.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.752 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -119.83 -120.53 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.77 78.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.49 18.47 67.79 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.99 -170.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.508 ' HB3' HG23 ' A' ' 17' ' ' THR . 70.9 m -131.48 150.53 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.566 ' CD1' HD23 ' A' ' 65' ' ' LEU . 10.4 m-85 -128.22 148.21 50.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' VAL . 36.8 p -134.46 142.11 46.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.576 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -147.78 119.31 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -135.32 144.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.841 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.57 121.81 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 5.2 m-80 -117.99 132.47 56.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER 79.07 91.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 57' ' ' SER . 40.7 mt -99.52 132.29 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.752 HD22 ' H ' ' A' ' 110' ' ' TYR . 5.4 tp -37.24 -45.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.52 ' HB2' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mmtt -127.49 160.14 61.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.468 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.02 165.03 32.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -147.95 140.71 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.33 138.69 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.82 -68.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -49.87 -22.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.02 -29.44 10.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -61.41 163.25 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 m -157.94 159.91 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.68 140.27 53.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 96' ' ' LEU . 4.6 mtmt -138.04 158.31 44.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.468 HG22 HG23 ' A' ' 95' ' ' VAL . 85.5 t -134.27 128.04 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.11 178.45 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.0 m -63.34 118.69 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 42' ' ' HIS . 74.2 m-20 51.87 28.03 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 36' ' ' ILE . 25.0 m -154.74 145.04 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.782 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -113.76 130.43 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.818 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.1 mt -101.38 147.77 25.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.533 HD11 ' CD1' ' A' ' 60' ' ' LEU . 17.4 mm -137.0 90.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.477 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -76.82 120.72 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 36.1 m -120.37 109.75 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.0 mmp_? -58.02 148.26 26.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -98.91 136.23 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -75.73 -23.58 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.27 118.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.63 172.39 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 52.3 60.73 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.448 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.1 m -131.74 146.2 52.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -105.67 136.6 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -113.08 92.56 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.509 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 11.4 m-20 -61.99 -14.57 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.752 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.4 m-85 -161.57 139.72 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.614 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -50.74 -36.26 35.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -76.21 155.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.07 122.84 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.681 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.1 mt -84.68 92.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.557 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 63.1 m -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.96 119.79 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 16.7 p90 -149.75 135.11 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.776 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -80.0 139.29 21.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 36.2 p-90 -145.9 157.45 43.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -158.6 173.53 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HB2' HG22 ' A' ' 32' ' ' VAL . 15.9 pm0 -151.38 146.29 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -139.89 154.57 47.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.7 m-20 -63.57 79.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.8 mtmt 167.64 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 42.0 m-85 -155.49 167.72 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 27' ' ' GLN . 46.2 t -119.45 142.68 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 3.0 ptmt -146.5 156.56 43.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.776 HG23 ' O ' ' A' ' 24' ' ' GLY . 3.6 mp -127.25 142.64 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.583 ' CD1' HD21 ' A' ' 96' ' ' LEU . 2.6 m-85 -119.77 109.73 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -109.7 148.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.93 114.02 26.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.75 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -146.33 101.87 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -75.23 120.7 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.457 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 110.66 -23.5 19.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.3 p -56.73 -25.9 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -84.65 -2.83 58.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -107.98 -36.17 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.5 m -66.74 154.05 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.02 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -74.46 -3.7 32.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -86.79 -29.21 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.433 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 59.1 m-20 -81.42 -15.61 54.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.92 112.79 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -118.92 116.38 26.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.237 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -132.91 135.6 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.432 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 75.9 t60 -124.7 137.67 54.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 29.8 m-85 -106.46 145.82 31.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.461 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 74.0 p -131.03 -164.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 4.3 pt-20 -77.54 -40.94 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' SER . 11.8 mmm-85 -142.32 67.11 1.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 2.4 p 159.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.885 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.35 127.64 5.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.6 p-10 -105.27 143.65 33.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.08 117.09 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -111.57 147.86 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.776 ' N ' HD13 ' A' ' 61' ' ' LEU . 71.3 t -142.33 115.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.596 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -111.25 162.77 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.659 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.5 t30 40.46 90.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.561 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -128.01 -132.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.01 70.5 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.07 21.38 61.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 2.5 ptpt -163.59 -169.91 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.697 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.2 m -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.668 ' CG ' HD21 ' A' ' 38' ' ' LEU . 24.3 m-85 -131.48 148.72 52.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.681 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.3 ttt -149.38 122.09 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.569 HG12 ' CB ' ' A' ' 59' ' ' ASP . 8.9 mt -135.56 143.75 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.885 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.6 119.08 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 84.0 m-20 -119.84 131.08 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.8 m-20 85.66 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 74' ' ' VAL . 97.1 mt -96.0 131.4 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.639 HD22 ' H ' ' A' ' 110' ' ' TYR . 11.7 tp -38.07 -48.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mmtt -124.84 159.25 59.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.96 166.94 28.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.0 138.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.5 143.64 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 46.0 t -87.32 -68.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -54.44 -19.3 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.54 -31.74 8.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -64.81 157.14 28.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.09 161.73 41.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.56 131.87 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.8 mtmt -125.95 163.16 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.41 HG22 HG23 ' A' ' 95' ' ' VAL . 40.7 t -134.88 123.9 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 m -53.8 119.14 4.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 44.21 34.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 36' ' ' ILE . 37.7 m -155.77 148.28 23.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 60' ' ' LEU . 5.3 p -118.53 115.34 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -88.88 132.24 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.476 HD11 ' HG ' ' A' ' 60' ' ' LEU . 15.9 mm -117.4 90.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.98 120.57 18.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 58.6 m -119.91 111.98 18.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.24 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.3 mmp_? -58.43 148.35 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 4.7 mttt -100.11 124.6 45.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -65.32 -27.44 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.3 OUTLIER -149.42 115.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.07 172.14 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 60.52 53.59 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.405 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.1 m -138.23 144.75 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -105.4 144.8 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.58 ' HA ' HD23 ' A' ' 78' ' ' LEU . 12.4 m0 -113.26 98.44 7.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 13.6 m-20 -64.97 -17.76 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.639 ' H ' HD22 ' A' ' 78' ' ' LEU . 37.7 m-85 -162.46 146.92 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -54.96 -44.97 74.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.528 HG22 HD23 ' A' ' 77' ' ' LEU . 12.7 p . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.656 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 39.3 t -76.29 153.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -105.9 116.35 31.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.942 HD12 ' HB2' ' A' ' 72' ' ' MET . 17.7 mt -74.78 93.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -44.4 16.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.1 119.55 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.628 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 24.5 p90 -149.64 131.99 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.15 134.36 12.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.6 p-90 -138.1 151.2 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -148.06 144.26 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.586 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -127.12 144.88 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 41.0 m -140.25 151.04 44.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.05 80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER 168.51 -55.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 41.8 m-85 -154.82 168.62 26.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -116.15 138.03 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.69 ' HD2' HD22 ' A' ' 96' ' ' LEU . 12.5 ttpt -141.79 149.1 39.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.699 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -123.3 149.16 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -131.78 105.05 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 94' ' ' THR . 2.9 mp -104.3 149.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 102.25 14.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.69 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.01 101.88 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.4 HG22 ' ND2' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -76.16 118.39 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.44 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 113.58 -23.81 13.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.3 p -56.1 -26.07 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.28 3.26 40.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.631 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -114.77 -33.84 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.541 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.3 m -65.61 155.41 85.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.04 169.5 22.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -75.32 -7.28 53.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.13 -28.96 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 52.0 m-20 -79.9 -26.03 40.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 t -99.35 112.42 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -124.03 111.44 15.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -126.17 138.43 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-160 -124.61 135.59 53.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.2 m-85 -105.98 137.13 44.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 57' ' ' SER . 14.2 p -121.71 -166.34 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -78.87 -36.77 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 12.9 mmm-85 -143.76 55.11 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.72 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.44 172.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.809 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.89 127.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.732 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.7 p-10 -109.29 148.66 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.76 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.22 114.64 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.57 148.19 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG1' HD22 ' A' ' 65' ' ' LEU . 97.7 t -146.83 101.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -104.03 160.26 14.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.541 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.2 t30 43.34 92.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.533 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -127.33 -131.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.4 ' ND2' HG22 ' A' ' 39' ' ' THR . 1.2 t-20 -75.09 72.13 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.12 20.44 64.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.76 -169.95 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.656 ' HB2' HG23 ' A' ' 17' ' ' THR . 17.2 p -134.36 151.6 51.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.575 ' CG ' HD21 ' A' ' 38' ' ' LEU . 19.3 m-85 -130.51 151.09 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.2 p -133.16 138.48 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.942 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -144.86 118.87 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.52 143.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.809 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.14 122.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 60.0 m-80 -119.0 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.7 OUTLIER 78.61 85.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.783 HD21 ' CG2' ' A' ' 74' ' ' VAL . 37.4 mt -94.76 132.07 39.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.622 HD22 ' H ' ' A' ' 110' ' ' TYR . 5.0 tp -38.53 -47.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.5 mmtp -127.92 159.81 64.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.1 Cg_endo -75.02 166.02 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -144.32 138.06 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -72.06 117.99 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.468 HG22 ' C ' ' A' ' 53' ' ' PHE . 41.4 t -67.11 -60.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -48.82 -22.25 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.6 -25.56 9.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.548 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 73.3 m -59.58 154.89 16.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 0.749 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 m -155.63 157.63 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.638 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -118.82 143.41 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 4.8 mtmt -138.8 161.09 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.02 131.13 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -116.63 172.2 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.1 m -51.54 118.55 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.97 37.56 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.5 m -158.79 142.59 15.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.76 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -111.29 126.23 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 34' ' ' ILE . 3.4 mt -98.41 145.95 26.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 60' ' ' LEU . 17.0 mm -135.41 91.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.538 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -76.63 118.56 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.442 ' HB3' HG21 ' A' ' 81' ' ' ILE . 8.7 m -119.6 106.92 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.9 mmp_? -57.71 148.39 24.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -97.41 144.12 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -83.56 -25.91 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -150.23 117.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -61.48 178.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 45.44 61.67 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.5 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.5 m -144.2 100.48 3.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.52 148.35 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.9 m0 -115.39 95.81 5.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -57.75 -28.49 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.622 ' H ' HD22 ' A' ' 78' ' ' LEU . 74.8 m-85 -150.18 138.24 20.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.577 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -48.89 -32.04 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.4 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.971 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 69' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.398 -0.223 . . . . 0.0 110.398 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.23 150.67 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 112.27 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 72' ' ' MET . 23.4 mt -78.36 72.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -43.69 84.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -95.57 119.55 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 38.3 p90 -150.04 138.54 20.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -88.39 131.09 10.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.646 ' CE3' HD23 ' A' ' 111' ' ' LEU . 36.4 p-90 -133.53 147.62 51.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.608 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -160.61 133.89 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.485 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -147.23 163.91 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.83 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.66 84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 171.27 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.3 m-85 -146.96 170.28 17.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 47.5 t -119.02 137.28 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.546 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.8 ttpt -146.36 146.24 30.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.9 mp -120.99 149.53 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.803 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -131.7 104.08 6.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.9 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -101.92 149.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.721 HD21 ' CG ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -137.11 100.99 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.22 122.08 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.413 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 109.44 -23.34 22.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -55.98 -25.25 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -87.51 5.13 40.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.32 -30.17 7.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.78 HG11 ' O ' ' A' ' 64' ' ' ASN . 34.2 m -72.91 156.37 89.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -74.95 169.95 21.48 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t -77.24 -3.5 40.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.04 -19.53 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.411 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 44.2 m-20 -89.65 -17.64 28.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG11 ' CE ' ' A' ' 88' ' ' LYS . 47.1 t -103.25 110.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -117.43 114.27 23.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -133.42 133.58 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 66.1 t60 -123.97 131.45 53.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' C ' HG22 ' A' ' 83' ' ' VAL . 68.1 m-85 -101.46 148.66 24.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.6 p -131.55 -164.53 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 1.8 pt-20 -78.86 -37.23 40.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.445 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 15.5 mmm-85 -143.75 61.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.5 p 164.31 166.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.821 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -163.15 127.75 3.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.0 p-10 -106.0 144.54 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.92 117.59 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.803 HD13 ' C ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -112.99 149.26 33.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.794 ' H ' HD22 ' A' ' 61' ' ' LEU . 93.1 t -142.19 104.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.24 153.38 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.78 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.3 t-20 49.83 101.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.555 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -139.66 -131.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.6 69.33 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.31 18.79 63.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -165.78 -172.03 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.516 ' HB3' HG22 ' A' ' 17' ' ' THR . 17.1 m -125.63 156.85 38.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.721 ' CG ' HD21 ' A' ' 38' ' ' LEU . 32.7 m-85 -135.85 129.28 32.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.8 p -114.01 143.48 44.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.628 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.1 ttm -151.66 118.59 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.97 146.58 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.1 122.53 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 30.2 m-20 -118.35 128.13 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 82.61 90.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.781 HD21 HG21 ' A' ' 74' ' ' VAL . 69.1 mt -99.28 134.98 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.616 HD22 ' H ' ' A' ' 110' ' ' TYR . 6.3 tp -37.79 -46.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 26.9 mmtt -129.64 161.66 57.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 165.64 30.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -142.93 141.36 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.6 OUTLIER -76.93 112.89 14.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.956 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 86' ' ' SER . 13.3 t -58.68 -66.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.75 -44.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.15 -33.3 45.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 82' ' ' SER . 73.7 m -52.03 155.53 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 2.0 m -159.62 159.87 33.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.554 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -121.0 144.46 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.7 mtmt -138.45 162.93 33.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.9 132.17 53.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -117.1 175.01 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 95.9 m -52.25 117.27 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.0 p30 44.87 37.75 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.0 m -157.34 144.73 18.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 60' ' ' LEU . 7.6 p -112.82 124.35 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.803 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -95.85 144.41 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.509 HD11 ' CD1' ' A' ' 60' ' ' LEU . 21.1 mm -133.23 91.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -78.02 119.32 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.517 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.1 m -119.65 105.04 10.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.716 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.9 mmp_? -56.71 147.67 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -94.36 148.35 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -87.7 -26.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -152.3 116.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.94 169.49 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.47 35.76 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.6 m -128.95 96.6 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.55 154.5 32.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.522 ' HA ' HD23 ' A' ' 78' ' ' LEU . 13.6 m0 -117.44 99.92 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.45 -28.26 68.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.616 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.7 m-85 -141.97 164.29 30.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.646 HD23 ' CE3' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -71.48 -31.16 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.579 HG23 HD13 ' A' ' 111' ' ' LEU . 18.5 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.681 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.5 t -78.0 150.87 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.04 114.85 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.669 HD12 ' HB2' ' A' ' 72' ' ' MET . 22.2 mt -74.69 95.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -83.15 -50.5 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.97 120.29 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 26.3 p90 -149.04 134.39 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -86.31 134.11 12.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.6 p-90 -137.21 152.25 49.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.612 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -166.58 134.03 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.6 ' CB ' HG22 ' A' ' 32' ' ' VAL . 3.0 pp0? -137.96 165.06 27.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.6 170.49 15.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.37 82.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER 171.05 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 50.7 m-85 -148.7 170.19 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.6 HG22 ' CB ' ' A' ' 27' ' ' GLN . 25.1 t -117.11 138.76 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HD2' HD22 ' A' ' 96' ' ' LEU . 10.3 ttpt -145.72 148.34 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.687 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -124.8 154.46 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -136.16 107.9 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -107.59 148.52 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.64 113.14 25.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.769 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -145.5 99.57 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -75.44 111.91 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.437 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.07 -24.61 7.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 38' ' ' LEU . 10.7 p -56.33 -24.28 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -87.94 3.74 47.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 -21.45 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.637 HG11 ' O ' ' A' ' 64' ' ' ASN . 24.0 m -82.74 153.32 67.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 170.07 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -74.24 -3.7 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -84.39 -24.6 29.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 53.6 m-20 -90.4 -13.45 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 16.9 t -106.45 102.1 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -114.22 111.45 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.84 133.25 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 t-160 -122.65 127.97 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' C ' HG22 ' A' ' 83' ' ' VAL . 66.8 m-85 -94.1 153.6 18.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 83' ' ' VAL . 25.5 p -134.19 -167.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -80.3 -35.58 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.49 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -143.4 58.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.635 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.2 p 166.0 178.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.817 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.45 128.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 p-10 -106.41 142.37 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.658 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -139.83 115.6 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.839 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -108.12 150.7 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.839 ' H ' HD22 ' A' ' 61' ' ' LEU . 69.4 t -143.99 116.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.532 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.85 164.26 13.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.637 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER 40.53 91.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.591 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -127.95 -128.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -79.06 73.27 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.43 19.15 66.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.36 -173.82 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.754 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.681 ' CB ' HG23 ' A' ' 17' ' ' THR . 48.9 m -125.76 159.18 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.741 ' CD2' HD21 ' A' ' 38' ' ' LEU . 25.1 m-85 -134.79 147.37 49.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' VAL . 50.8 p -132.24 142.33 49.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.669 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -150.83 119.03 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.3 mt -135.18 144.85 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.92 123.16 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 25.7 m120 -120.19 130.73 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.3 m-20 83.29 90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 74' ' ' VAL . 58.0 mt -102.28 134.69 45.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.635 HD22 ' H ' ' A' ' 110' ' ' TYR . 9.3 tp -39.1 -46.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 18.7 mmtt -129.35 160.1 65.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.49 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.99 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -141.92 141.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -78.82 103.23 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' THR . 22.2 t -51.4 -61.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' VAL . 44.0 mt-10 -38.8 -51.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -30.58 61.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 82' ' ' SER . 21.6 m -51.31 153.38 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.2 161.05 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.616 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -122.15 142.73 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.4 mtmt -137.03 161.95 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.9 130.39 52.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 2.4 ptpt -113.45 -178.15 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 89.4 m -60.92 118.82 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 92' ' ' THR . 3.9 p30 46.11 30.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 36' ' ' ILE . 19.9 m -152.53 143.92 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -111.31 131.45 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.744 HD22 ' HD2' ' A' ' 33' ' ' LYS . 3.7 mt -102.98 143.73 32.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.559 HD11 ' CD1' ' A' ' 60' ' ' LEU . 19.5 mm -133.04 90.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.52 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.3 mt -76.09 119.34 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.589 ' HB3' HG21 ' A' ' 81' ' ' ILE . 2.3 m -119.71 103.17 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.697 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.6 mmp_? -56.83 147.95 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -92.29 153.96 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -91.25 -25.05 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.63 117.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -61.65 173.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 55.57 50.91 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.425 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -139.12 102.12 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -71.16 152.25 43.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.6 m0 -116.75 99.22 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.528 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 28.6 m-20 -66.96 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.635 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -162.05 154.08 19.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -66.75 -35.53 80.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 19.4 p . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.593 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.31 151.25 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -103.12 117.09 33.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.536 HD12 ' HB2' ' A' ' 72' ' ' MET . 12.8 mt -78.49 96.51 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.2 p -86.9 -40.85 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.32 119.7 38.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 27.5 p90 -148.57 139.83 23.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.23 127.42 8.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 22.5 p-90 -129.24 145.82 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -159.07 133.72 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.463 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -142.16 165.32 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -37.6 92.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.82 -50.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -150.76 170.52 19.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG23 ' HG3' ' A' ' 101' ' ' LYS . 39.7 t -123.51 135.71 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 7.9 ttpt -147.16 150.41 34.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.66 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -127.94 151.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.735 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -132.01 104.27 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.816 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -101.04 147.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 m -92.8 105.6 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.709 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.65 100.76 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.416 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -76.36 119.24 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.431 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 111.75 -22.94 18.34 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.8 p -57.0 -18.71 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -89.33 1.86 55.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.21 -20.39 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.532 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.6 m -80.41 154.43 74.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.05 177.07 9.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 t -81.3 -7.27 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -84.24 -21.49 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.423 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 60.4 m-20 -88.83 -17.74 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG11 ' CE ' ' A' ' 88' ' ' LYS . 28.4 t -107.77 108.08 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -120.07 110.93 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -127.14 135.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 2.0 t-160 -123.88 131.09 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 56.3 m-85 -101.08 144.3 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 57' ' ' SER . 1.2 p -126.95 -166.45 1.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 3.0 pt-20 -74.69 -41.46 60.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 2.8 mmm180 -141.17 51.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.75 ' N ' HD12 ' A' ' 77' ' ' LEU . 25.1 m 179.67 172.37 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.824 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.47 127.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.67 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.3 p-10 -107.18 151.43 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.665 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.0 116.51 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.872 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -107.48 151.08 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.872 ' H ' HD22 ' A' ' 61' ' ' LEU . 90.6 t -146.84 112.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -111.86 166.03 11.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.532 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER 39.98 90.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.536 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.64 -134.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.415 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.2 t-20 -71.66 70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.8 21.89 67.81 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.28 -178.56 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.593 ' HB2' HG23 ' A' ' 17' ' ' THR . 15.3 p -125.04 151.68 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 29.4 m-85 -129.94 148.51 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 p -134.37 140.3 46.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.542 ' HE1' ' CG ' ' A' ' 23' ' ' TYR . 1.8 ttm -147.09 125.5 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' ASP . 6.2 mt -138.29 142.25 35.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.824 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.81 123.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.0 m-80 -127.12 138.11 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.5 m-20 84.44 65.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.75 HD12 ' N ' ' A' ' 57' ' ' SER . 33.2 mt -79.86 134.19 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.54 HD22 ' H ' ' A' ' 110' ' ' TYR . 13.9 tp -42.8 -48.64 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 6.3 mmtt -124.2 159.81 55.31 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.471 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.06 160.68 39.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.731 HD13 ' SG ' ' A' ' 99' ' ' CYS . 1.7 pp -142.64 142.07 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 133.14 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.484 HG22 ' C ' ' A' ' 53' ' ' PHE . 42.7 t -77.28 -68.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -48.12 -27.94 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.57 -31.32 16.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.0 m -59.35 157.81 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.2 m -157.01 157.54 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.577 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -122.45 144.63 48.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.4 mtmm -136.14 165.13 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.83 130.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -113.24 -173.81 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.7 m -65.93 109.76 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 98.7 m-20 55.46 32.77 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 36' ' ' ILE . 20.0 m -154.63 144.97 22.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.665 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -113.92 122.93 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.735 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -93.57 145.86 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 60' ' ' LEU . 13.5 mm -134.58 91.51 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.6 mt -78.31 121.65 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.731 ' SG ' HD13 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -120.69 113.9 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.694 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.2 mmp_? -58.87 149.01 28.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' A' ' 32' ' ' VAL . 4.6 mttt -100.45 106.54 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -42.53 -29.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -151.3 114.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -63.42 176.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 57.8 49.94 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.42 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 1.3 m -140.56 106.62 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.16 144.9 51.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.2 m0 -111.1 99.14 8.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.47 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 27.5 m-20 -68.51 -15.96 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.54 ' H ' HD22 ' A' ' 78' ' ' LEU . 65.3 m-85 -160.08 152.03 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -64.65 -46.77 81.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.697 HG21 ' HE2' ' A' ' 68' ' ' LYS . 35.4 t -77.3 155.23 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -105.49 110.56 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.694 HD12 ' HB2' ' A' ' 72' ' ' MET . 23.8 mt -69.12 101.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.67 -58.28 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -87.3 119.63 27.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' HE1' HD12 ' A' ' 111' ' ' LEU . 24.7 p90 -148.15 135.53 20.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.93 133.33 11.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.596 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 41.0 p-90 -135.28 150.11 49.95 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -148.54 140.75 24.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.596 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.4 pm0 -122.79 147.47 46.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -137.01 147.65 46.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.2 m-20 -63.96 77.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.619 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 164.83 -46.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.619 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.8 m-85 -155.48 169.29 24.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.465 HG23 ' HE2' ' A' ' 101' ' ' LYS . 54.0 t -125.11 141.86 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.583 ' CG ' HD22 ' A' ' 96' ' ' LEU . 14.6 ttpt -146.33 149.9 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.648 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -122.3 144.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.774 ' CD2' HD21 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -128.68 104.53 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.857 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -101.54 143.16 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 m -88.88 104.82 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.791 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -138.12 102.57 4.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.41 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -78.16 118.89 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.53 -22.06 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.4 p -56.55 -20.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.96 4.65 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -113.54 -15.62 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 41' ' ' VAL . 33.2 m -80.82 155.65 73.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.94 169.75 21.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -76.82 -3.79 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -88.43 -19.94 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.462 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 76.7 m-20 -92.85 -22.33 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 t -98.42 91.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -110.78 112.53 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.77 134.46 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -122.06 135.76 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CZ ' ' C ' ' A' ' 87' ' ' SER . 33.8 m-85 -104.44 144.61 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 57' ' ' SER . 41.7 p -128.96 -163.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.7 pt-20 -80.19 -38.83 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 78' ' ' LEU . 6.6 mmm180 -142.32 61.2 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.45 ' N ' HD12 ' A' ' 77' ' ' LEU . 4.9 p 164.78 169.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.046 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.885 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.29 127.7 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -103.96 147.96 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.835 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.45 115.59 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.9 HD21 ' HD3' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -108.98 148.65 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.812 ' H ' HD22 ' A' ' 61' ' ' LEU . 68.9 t -147.12 101.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.9 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -101.15 164.29 11.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.472 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 1.0 OUTLIER 39.87 90.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.634 HD21 HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -121.94 -114.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 66' ' ' ASN . 9.8 p30 -95.99 78.82 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.61 16.13 60.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.697 ' HE2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -165.69 -169.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.631 ' HB3' HG23 ' A' ' 17' ' ' THR . 49.5 m -131.75 152.76 50.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.633 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.5 m-85 -130.16 144.29 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 78.3 p -133.14 142.86 48.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.694 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.2 ttt -148.83 120.41 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.545 HG12 ' CB ' ' A' ' 59' ' ' ASP . 12.3 mt -133.31 145.09 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.885 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.73 119.01 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 32.5 m120 -115.88 126.98 54.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.9 m-20 82.84 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.653 HD21 HG21 ' A' ' 74' ' ' VAL . 82.5 mt -103.3 133.97 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 110' ' ' TYR . 5.2 tp -37.15 -46.31 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.532 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.9 mmtt -127.52 160.89 58.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -74.95 164.63 33.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 99' ' ' CYS . 1.3 pp -144.34 142.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.04 128.2 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 ' C ' ' A' ' 53' ' ' PHE . 38.9 t -71.88 -68.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -45.09 -26.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.29 -31.24 9.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.7 m -59.32 169.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.486 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -168.37 158.71 9.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.491 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -120.09 141.62 49.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.5 mtmt -140.22 160.13 40.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.5 t -134.81 132.35 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -108.3 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -68.81 110.1 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.41 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 66.9 m-20 59.74 32.39 21.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 36' ' ' ILE . 15.8 m -159.83 139.91 11.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 60' ' ' LEU . 7.7 p -105.06 130.87 55.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.774 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.6 mt -101.57 149.15 24.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 96' ' ' LEU . 16.1 mm -138.61 90.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 4.7 mt -77.58 120.52 22.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.456 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.7 m -119.67 107.36 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.514 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mmp_? -57.59 148.08 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.465 ' HE2' HG23 ' A' ' 32' ' ' VAL . 6.0 mttt -96.16 137.66 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -77.85 -25.79 48.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.83 118.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 30' ' ' LYS . 1.6 mm-40 -60.52 -173.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' GLU . 93.8 m-20 39.63 60.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.445 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.3 m -137.36 137.29 38.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.73 143.08 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.4 m0 -113.64 93.97 4.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 11.6 m-20 -58.89 -20.15 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.773 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -157.99 139.78 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.598 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -44.64 -46.21 10.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.432 HG22 HD23 ' A' ' 77' ' ' LEU . 40.0 p . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.783 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.436 HG21 ' HE2' ' A' ' 68' ' ' LYS . 39.8 t -77.78 153.98 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.21 111.55 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.798 HD12 ' HB2' ' A' ' 72' ' ' MET . 28.0 mt -68.78 92.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -60.12 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.16 119.84 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 31.0 p90 -149.4 130.55 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -81.95 134.4 13.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.041 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.2 p-90 -138.87 149.31 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -145.86 146.35 31.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.1 pm0 -122.11 149.71 43.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 96.8 m-20 -65.08 76.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 29' ' ' ASP . 4.7 mtmt 165.78 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 59.1 m-85 -155.73 143.97 20.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.84 145.35 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -147.21 145.87 29.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.628 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.5 mp -119.7 153.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.704 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -136.49 110.42 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.729 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -109.0 150.89 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -94.98 106.28 18.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.627 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -138.93 104.71 5.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.98 119.46 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 111.9 -23.61 16.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -56.24 -24.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -86.14 3.28 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -113.75 -30.19 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.658 HG11 ' O ' ' A' ' 64' ' ' ASN . 31.6 m -72.88 153.72 91.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -74.96 174.26 13.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -76.42 -6.43 51.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.452 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.5 pt-20 -80.83 -32.69 35.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 26.6 m-20 -81.5 -18.81 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.01 106.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -119.96 114.52 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.49 137.6 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 13.7 t-160 -126.57 133.36 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.594 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -101.33 144.42 30.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.548 ' CA ' HG22 ' A' ' 83' ' ' VAL . 65.1 p -126.98 -163.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.3 pt-20 -79.18 -40.58 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.488 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.78 52.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.676 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.3 p 177.19 172.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.789 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.02 127.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.4 p-10 -105.45 149.0 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.62 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.77 116.83 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.834 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -109.68 149.68 29.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.834 ' H ' HD22 ' A' ' 61' ' ' LEU . 69.7 t -146.83 103.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.799 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -102.19 167.07 10.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.658 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.6 t-20 39.87 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.554 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.75 -129.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.47 72.47 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.27 21.2 63.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.22 -169.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.783 ' HB3' HG23 ' A' ' 17' ' ' THR . 58.0 m -133.1 153.08 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.569 ' CG ' HD21 ' A' ' 38' ' ' LEU . 44.6 m-85 -133.05 149.83 52.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 58.4 p -137.54 142.44 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.798 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.3 ttt -148.28 122.68 9.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.32 144.67 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.789 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.71 123.93 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 7.1 m-80 -119.65 127.7 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.2 m-20 83.29 92.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.75 HD21 ' CG2' ' A' ' 74' ' ' VAL . 40.5 mt -101.11 134.05 44.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.4 tp -38.5 -49.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 16.9 mmtt -125.29 159.19 61.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.488 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.4 Cg_endo -75.01 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.457 HG22 ' HA ' ' A' ' 101' ' ' LYS . 1.6 pp -152.91 146.95 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -70.55 131.5 44.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.548 HG22 ' CA ' ' A' ' 54' ' ' THR . 37.6 t -73.72 -69.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.69 -14.16 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.64 -16.14 46.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.405 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 2.0 m -83.67 165.35 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -158.25 160.79 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.84 143.39 45.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.2 mtmt -134.85 161.26 35.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -134.98 135.78 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.47 ' CE ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.86 174.81 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -54.25 119.36 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 44.95 34.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 36' ' ' ILE . 27.1 m -156.46 145.43 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -114.88 126.24 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.704 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -95.88 147.89 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.523 HD13 ' O ' ' A' ' 96' ' ' LEU . 17.0 mm -140.66 91.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 33' ' ' LYS . 1.9 mt -77.01 132.32 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 83.8 m -118.25 106.65 13.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -58.36 104.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.684 ' HZ1' ' HE1' ' A' ' 108' ' ' TRP . 1.6 mttt -60.17 133.93 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -70.95 -36.79 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.82 121.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.86 173.64 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 61.44 49.57 5.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.563 HG22 ' HZ1' ' A' ' 101' ' ' LYS . 1.1 m -140.85 127.76 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -86.54 153.72 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.684 ' HE1' ' HZ1' ' A' ' 101' ' ' LYS . 9.4 m0 -122.32 90.96 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 2.2 m-20 -54.93 -21.38 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.675 ' H ' HD22 ' A' ' 78' ' ' LEU . 88.6 m-85 -162.11 155.59 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -60.46 -40.47 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 12.1 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.687 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.7 t -76.7 155.16 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -106.65 115.75 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.954 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.9 mt -74.37 95.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.0 m -79.69 -59.29 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -86.95 121.32 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 34.9 p90 -148.75 130.05 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.03 128.21 8.35 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.595 ' CE3' HD23 ' A' ' 111' ' ' LEU . 49.9 p-90 -131.26 167.37 19.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -155.76 175.69 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.492 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 18.3 pm0 -156.15 144.77 20.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 147.87 40.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.7 m-20 -63.35 77.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mttt 165.19 -51.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.684 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 52.5 m-85 -156.06 157.32 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -112.1 148.38 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.54 ' CG ' HD22 ' A' ' 96' ' ' LEU . 13.5 ttpt -146.81 151.1 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.647 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.0 mp -124.28 149.0 28.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.741 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -132.59 110.02 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -109.04 150.38 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -94.08 108.71 20.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.72 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -142.0 102.46 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.96 117.18 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.418 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 114.76 -23.72 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.1 p -56.46 -23.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -86.96 -0.7 57.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.64 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.84 -31.14 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.8 m -71.93 154.07 92.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -76.64 -7.56 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -81.09 -32.56 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 56.1 m-20 -80.67 -13.04 59.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 t -110.21 104.75 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -115.82 115.6 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -133.6 139.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.3 t-160 -127.64 132.88 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.81 144.22 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.7 p -126.83 -164.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.1 pt-20 -80.08 -36.04 36.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 21.5 mmm-85 -144.43 57.65 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.741 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.9 p 168.24 173.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.816 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.44 127.58 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.5 p-10 -104.31 147.71 27.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.584 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.81 116.76 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.822 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -109.81 150.08 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.822 ' H ' HD22 ' A' ' 61' ' ' LEU . 70.3 t -143.47 112.14 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.695 ' HE3' HD21 ' A' ' 61' ' ' LEU . 1.4 mttt -109.46 162.78 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.668 ' O ' HG11 ' A' ' 44' ' ' VAL . 19.0 t30 40.95 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.564 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.71 -129.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -74.45 72.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.18 61.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.46 -170.31 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.687 ' HB3' HG23 ' A' ' 17' ' ' THR . 50.2 m -130.13 153.1 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 22.9 m-85 -131.88 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 77.2 p -131.59 144.13 50.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.954 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -151.28 118.52 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -135.6 142.91 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.816 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.61 119.28 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.9 m-20 -116.84 132.67 56.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.9 OUTLIER 79.58 90.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.741 HD12 ' N ' ' A' ' 57' ' ' SER . 43.5 mt -99.38 132.95 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.678 HD22 ' H ' ' A' ' 110' ' ' TYR . 6.2 tp -37.81 -47.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HD2' HG21 ' A' ' 106' ' ' THR . 19.4 mmtt -126.85 160.86 56.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.521 ' O ' HG23 ' A' ' 81' ' ' ILE . 18.2 Cg_endo -74.97 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 80' ' ' PRO . 1.3 pp -155.35 151.26 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -79.42 127.54 32.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 37.4 t -70.02 -69.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.6 -15.36 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.83 -16.06 46.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.409 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 4.5 m -83.2 167.55 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -160.03 157.68 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -116.5 144.29 44.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.3 mtmt -137.76 162.65 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.6 t -134.57 136.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.477 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.88 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 60.2 m -50.83 118.02 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.3 p30 45.02 37.11 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 36' ' ' ILE . 49.6 m -157.55 145.06 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -114.05 125.3 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.741 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -96.25 146.95 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 96' ' ' LEU . 15.8 mm -139.91 90.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.475 HD23 ' HE2' ' A' ' 33' ' ' LYS . 2.0 mt -75.81 132.62 40.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 80.9 m -118.43 111.78 19.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.684 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -64.46 102.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HE3' ' NE1' ' A' ' 108' ' ' TRP . 1.0 OUTLIER -54.39 134.37 45.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.601 ' HE2' HG23 ' A' ' 103' ' ' VAL . 4.3 ttpt -76.29 -32.48 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.601 HG23 ' HE2' ' A' ' 102' ' ' LYS . 48.0 t -139.95 130.58 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.06 170.18 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 55.44 47.17 21.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.493 HG21 ' HD2' ' A' ' 79' ' ' LYS . 5.6 m -129.95 123.01 29.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.5 150.49 23.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -118.77 100.19 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.4 -19.81 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.678 ' H ' HD22 ' A' ' 78' ' ' LEU . 67.0 m-85 -150.16 149.83 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.595 HD23 ' CE3' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -58.35 -37.6 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 76' ' ' ASN . 15.7 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -77.09 146.0 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.63 123.3 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.772 HD12 ' HB2' ' A' ' 72' ' ' MET . 29.0 mt -80.99 95.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -80.03 -61.28 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -85.41 120.14 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.666 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 36.5 p90 -148.46 131.7 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.509 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.11 135.39 14.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.6 p-90 -138.6 139.84 38.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.59 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -136.83 142.27 42.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 32' ' ' VAL . 10.0 pm0 -121.4 150.08 42.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -139.59 146.87 40.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.0 m-20 -65.19 74.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 7.5 mtpt 166.09 -48.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 57.1 m-85 -156.46 148.53 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.521 HG22 ' HB2' ' A' ' 27' ' ' GLN . 35.1 t -105.81 145.94 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' CG ' HD22 ' A' ' 96' ' ' LEU . 14.5 ttpt -147.18 147.34 30.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.63 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -119.76 147.5 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.724 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -130.22 107.8 9.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.813 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -105.98 146.42 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -90.05 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.716 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -139.34 101.26 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.409 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -77.8 115.28 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 116.56 -23.12 10.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.4 p -57.27 -20.19 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.82 3.39 53.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -114.64 -17.0 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.63 HG11 ' O ' ' A' ' 64' ' ' ASN . 23.5 m -87.31 152.33 52.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.08 169.82 21.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -73.81 -3.54 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -85.17 -24.35 27.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 84.0 m-20 -89.13 -16.56 31.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 13.4 t -105.2 101.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -110.53 110.08 20.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.22 139.33 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 15.8 t-160 -130.04 130.57 45.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.653 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.27 145.72 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.486 ' CA ' HG22 ' A' ' 83' ' ' VAL . 22.9 p -128.07 -170.3 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -76.3 -34.71 59.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.494 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -144.77 59.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.507 ' N ' HD12 ' A' ' 77' ' ' LEU . 2.9 p 165.12 176.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.39 127.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.644 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.6 p-10 -104.28 145.84 29.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.727 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -143.05 115.33 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.777 HD13 ' C ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.774 ' N ' HD13 ' A' ' 61' ' ' LEU . 71.4 t -142.12 112.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.7 165.03 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.63 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.5 t30 40.51 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.56 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -127.93 -130.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.43 71.49 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.5 20.85 68.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.86 -172.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.622 ' HB3' HG23 ' A' ' 17' ' ' THR . 63.1 m -128.81 156.89 42.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.6 ' CD2' HD21 ' A' ' 38' ' ' LEU . 20.8 m-85 -132.84 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.2 p -135.42 143.49 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.772 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -152.63 119.61 5.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.24 121.11 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 20.7 m-80 -115.76 127.35 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.8 m-20 83.54 98.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.631 HD21 HG21 ' A' ' 74' ' ' VAL . 80.9 mt -107.49 134.09 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.583 HD22 ' H ' ' A' ' 110' ' ' TYR . 6.1 tp -38.23 -48.3 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 19.8 mmtt -128.12 156.1 76.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.494 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.97 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 99' ' ' CYS . 1.1 pp -149.88 147.88 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -70.58 112.7 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.486 HG22 ' CA ' ' A' ' 54' ' ' THR . 29.1 t -56.89 -69.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -56.62 -16.19 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' HB2' ' A' ' 100' ' ' ARG . . . -92.1 -18.33 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' SER . 18.0 m -74.99 168.92 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.25 158.42 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.599 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.58 141.17 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.1 mtmt -137.17 158.38 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -135.41 138.69 47.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.452 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -116.77 -166.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 50.4 m -74.97 107.69 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 93.6 m-20 59.53 29.1 18.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 36' ' ' ILE . 9.0 m -152.54 139.93 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.727 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -105.13 129.26 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.724 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -99.48 146.21 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.532 HG21 ' CE1' ' A' ' 58' ' ' PHE . 17.8 mm -139.47 90.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 33' ' ' LYS . 1.5 mt -76.5 134.27 39.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.571 ' HB3' HG21 ' A' ' 81' ' ' ILE . 92.6 m -119.46 105.35 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.63 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -57.8 104.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.56 ' HA ' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -58.37 132.2 52.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.05 -39.35 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.68 118.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -63.89 168.48 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 62.46 53.3 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 m -139.13 127.74 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.17 148.27 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.8 m0 -117.24 102.84 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 84.0 m-20 -65.05 -18.61 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.583 ' H ' HD22 ' A' ' 78' ' ' LEU . 58.0 m-85 -161.84 148.26 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.573 HD13 HG23 ' A' ' 112' ' ' THR . 0.6 OUTLIER -52.0 -47.01 65.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.573 HG23 HD13 ' A' ' 111' ' ' LEU . 32.1 p . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.601 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.6 t -76.88 154.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.62 115.11 29.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.829 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.6 mt -72.93 90.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -75.44 -61.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.84 120.24 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 27.9 p90 -149.3 131.99 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.47 136.19 15.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.513 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 30.2 p-90 -143.18 144.96 32.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -132.38 -170.4 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 108' ' ' TRP . 3.7 pt20 -161.98 146.3 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -141.07 146.97 37.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 3.6 m-20 -63.37 77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 169.76 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.622 ' CE1' ' NH1' ' A' ' 100' ' ' ARG . 28.8 m-85 -156.55 166.46 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.7 t -109.46 143.87 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.709 ' HD2' HD13 ' A' ' 96' ' ' LEU . 9.7 ttpt -145.92 147.55 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.673 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -125.02 151.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.68 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -131.77 115.08 15.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.741 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -112.76 145.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 m -92.95 104.82 17.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.09 99.43 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.408 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -73.58 117.19 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.433 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 115.22 -24.06 10.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.2 p -58.12 -20.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -87.9 -11.64 47.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -99.14 -30.43 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 64' ' ' ASN . 28.2 m -71.83 154.31 92.83 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.3 t -75.2 -3.62 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.17 -26.01 23.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.438 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 61.8 m-20 -83.82 -19.35 35.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -106.98 112.28 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -120.79 114.7 22.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -130.07 133.64 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.389 1.056 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.419 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.6 t-160 -122.45 138.03 54.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 49.3 m-85 -106.95 148.57 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.472 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 60.4 p -132.08 -164.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.5 pt-20 -78.62 -37.88 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . 21.3 mmm-85 -144.17 65.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 4.1 p 160.59 164.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.82 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -159.38 127.76 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.715 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.5 p-10 -106.31 143.15 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -140.44 116.64 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.817 HD22 ' H ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -108.32 151.14 26.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.817 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.9 t -146.77 107.64 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.97 162.72 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.679 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.0 t-20 40.95 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.554 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -128.52 -132.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.403 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.3 t-20 -71.89 71.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.71 62.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 ptpt -164.84 -175.8 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.601 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.8 m -124.25 151.8 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.623 ' CD2' HD21 ' A' ' 38' ' ' LEU . 52.6 m-85 -131.03 148.43 52.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 56.5 p -134.91 142.49 46.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.829 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -150.79 121.09 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -137.9 144.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.82 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.61 121.48 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.3 m-80 -121.13 132.45 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.0 m-20 85.8 81.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.63 HD21 ' CG2' ' A' ' 74' ' ' VAL . 96.5 mt -95.61 131.99 41.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.591 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.2 tp -37.56 -51.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.5 mmtt -122.34 161.66 42.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.03 168.45 24.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -147.06 140.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 127.8 33.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 38.6 t -74.79 -68.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -48.45 -23.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.62 -30.49 9.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.519 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 4.4 m -59.05 161.28 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -160.68 157.31 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.41 ' CD ' ' C ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -118.02 133.6 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -122.65 156.76 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 95' ' ' VAL . 91.2 t -133.78 125.77 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.93 -169.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.4 m -72.17 115.52 11.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.408 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 76.7 m-20 54.23 20.19 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 36' ' ' ILE . 18.0 m -145.68 146.16 31.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.39 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 60' ' ' LEU . 6.7 p -116.95 127.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.709 HD13 ' HD2' ' A' ' 33' ' ' LYS . 5.4 mt -96.43 145.95 25.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' A' ' 60' ' ' LEU . 24.5 mm -128.61 87.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.515 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.44 116.65 16.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 37.0 m -119.57 113.56 20.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.676 ' O ' HG22 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -61.07 150.12 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.701 ' HZ1' ' HE1' ' A' ' 108' ' ' TRP . 2.1 mttm -103.01 130.71 50.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -69.9 -21.32 63.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.0 117.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -73.61 165.85 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 70.11 48.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.491 ' HB ' ' HZ2' ' A' ' 101' ' ' LYS . 1.2 m -139.88 145.37 37.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.01 135.78 53.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.701 ' HE1' ' HZ1' ' A' ' 101' ' ' LYS . 19.8 m0 -97.88 103.76 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 108.047 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 1.9 m-20 -62.97 -21.26 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.591 ' H ' HD22 ' A' ' 78' ' ' LEU . 72.8 m-85 -157.12 128.74 7.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.513 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -38.63 -42.4 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.538 HG22 HD23 ' A' ' 77' ' ' LEU . 11.5 p . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.665 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 35.8 t -76.27 151.06 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -102.59 114.25 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.894 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.6 mt -73.3 84.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -44.42 45.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.17 119.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 33.7 p90 -149.78 137.55 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.53 126.38 8.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 19.8 p-90 -129.25 150.37 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -162.92 130.85 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.5 pp0? -143.61 164.31 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -140.78 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.87 83.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER 172.8 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CE1' ' HD3' ' A' ' 100' ' ' ARG . 63.9 m-85 -152.17 169.05 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.468 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 17.1 t -116.93 136.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -146.67 140.66 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.672 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -119.25 148.48 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.808 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -130.24 106.64 8.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -103.76 147.81 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -94.49 103.03 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.822 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -133.74 102.71 5.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.79 113.68 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.416 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 118.26 -22.34 9.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 38' ' ' LEU . 15.0 p -55.65 -29.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -111.31 -25.66 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.707 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.5 m -83.66 151.86 62.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -74.98 174.5 12.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.6 t -76.71 -3.62 38.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -23.3 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 94.3 m-20 -92.99 -11.26 33.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 88' ' ' LYS . 4.3 t -109.27 111.1 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.2 tp60 -121.87 106.85 11.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -124.81 133.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.426 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -125.11 128.87 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 15.7 m-85 -98.39 147.36 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 57' ' ' SER . 11.4 p -129.52 -164.95 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -75.79 -41.0 54.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.6 54.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.673 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.9 173.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.768 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.74 127.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.3 p-10 -105.32 153.52 21.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.83 114.24 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -100.27 148.48 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG1' HD22 ' A' ' 65' ' ' LEU . 65.3 t -147.28 101.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -105.53 163.7 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.707 ' O ' HG11 ' A' ' 44' ' ' VAL . 16.3 t-20 40.21 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.557 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -127.58 -126.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.82 73.82 5.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.22 20.03 62.49 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -167.19 -173.15 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.665 ' HB3' HG23 ' A' ' 17' ' ' THR . 70.4 m -125.67 155.73 40.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.2 m-85 -131.77 151.55 51.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 18.0 p -137.82 139.82 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.894 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -147.53 118.54 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.4 HD13 ' HB3' ' A' ' 59' ' ' ASP . 6.6 mt -135.75 145.71 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.768 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.07 122.29 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.2 m-80 -119.51 129.4 54.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.1 m-20 83.22 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.716 HD21 ' CG2' ' A' ' 74' ' ' VAL . 56.2 mt -98.65 132.11 44.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.51 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.3 tp -38.54 -46.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 8.5 mmtt -128.77 160.21 64.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.476 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 165.73 30.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 0.9 OUTLIER -140.64 143.02 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 99.02 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 53.8 t -41.85 -54.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' VAL . 36.9 mt-10 -39.07 -52.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 100' ' ' ARG . . . -75.28 -33.08 54.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.523 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 19.1 m -48.53 111.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.447 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -128.81 170.78 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.58 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -130.44 141.35 50.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 96' ' ' LEU . 7.4 mtmt -133.85 165.24 25.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.24 123.8 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -113.96 168.04 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 91.7 m -45.36 116.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 92' ' ' THR . 4.3 p30 45.46 39.47 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 36' ' ' ILE . 54.7 m -158.85 147.86 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.677 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -118.92 120.23 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.808 HD21 ' CD2' ' A' ' 35' ' ' TYR . 2.5 mt -93.14 142.44 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 58' ' ' PHE . 11.5 mm -132.18 90.94 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.02 123.62 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 81' ' ' ILE . 14.1 m -120.76 111.5 17.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -57.49 146.62 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.36 127.52 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -66.86 -32.98 74.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.29 117.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.08 -179.94 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.28 39.98 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.4 m -133.5 100.53 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.84 151.52 47.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.8 m0 -117.2 97.65 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.0 m-20 -68.44 -11.48 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.526 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 77.3 m-85 -162.22 152.38 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.462 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -67.51 -35.12 78.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 9.9 p . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m 66.45 95.41 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 0.748 . . . . 0.0 110.01 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -171.8 125.99 0.58 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 110.041 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.14 161.29 21.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t 175.99 135.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.992 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.27 159.17 0.51 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.26 112.7 0.47 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.439 1.087 . . . . 0.0 110.957 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.83 151.41 35.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.2 m -79.26 145.39 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -127.51 120.19 21.92 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.53 ' O ' HG23 ' A' ' 13' ' ' THR . 18.5 Cg_endo -75.0 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.54 1.811 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -65.3 105.71 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 11' ' ' PRO . 73.2 p -125.9 115.4 19.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 110.428 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' THR . 13.9 p 38.61 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 129.28 -75.21 0.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.12 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.3 OUTLIER -66.59 157.84 31.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 0.742 . . . . 0.0 110.982 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.59 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -135.73 148.05 48.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.436 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.3 t -75.74 149.81 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.14 116.89 33.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 72' ' ' MET . 30.7 mt -76.45 94.65 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.53 -57.49 3.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -88.02 119.91 28.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 33.7 p90 -149.31 130.94 14.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -80.57 138.26 19.36 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.58 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.7 p-90 -144.28 149.16 35.84 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.495 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -144.55 152.36 40.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.58 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -133.73 145.16 49.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 152.76 46.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.496 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 34.3 m-20 -64.25 78.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 170.53 -54.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.573 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 50.3 m-85 -156.02 169.85 23.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.2 t -117.38 141.62 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.541 ' CG ' HD22 ' A' ' 96' ' ' LEU . 17.5 ttpt -145.72 143.45 29.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.643 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -118.37 150.63 20.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.775 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -134.24 112.28 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.623 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -111.09 148.54 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.0 m -92.42 104.2 16.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.416 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.754 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.8 103.37 5.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.52 108.98 12.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 110.396 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 123.5 -21.9 7.09 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.754 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.4 p -59.15 -21.96 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -89.74 2.49 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.6 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -113.34 -27.56 7.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.345 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.628 HG11 ' O ' ' A' ' 64' ' ' ASN . 23.5 m -76.22 152.98 84.22 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.44 1.758 . . . . 0.0 110.999 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.5 t -73.75 -3.81 30.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 3.9 pt-20 -85.09 -25.71 27.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.26 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 86.5 m-20 -89.03 -10.88 45.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 37.4 t -111.08 104.84 17.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -116.43 113.18 22.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.27 138.65 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.413 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 55.9 t60 -128.07 132.13 49.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.647 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.472 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 20.3 m-85 -100.43 147.82 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 57' ' ' SER . 10.1 p -129.53 -165.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.355 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 1.4 pt-20 -77.21 -39.5 48.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 10.9 mmm-85 -142.5 54.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.3 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.677 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.03 174.49 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.829 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.53 127.34 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.646 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.2 p-10 -105.94 145.57 31.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.618 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.91 115.83 8.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.8 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -108.59 149.49 28.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.8 ' H ' HD22 ' A' ' 61' ' ' LEU . 93.1 t -144.32 112.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.493 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.7 163.45 13.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.628 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.0 t-20 41.0 90.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.225 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.4 -130.41 0.24 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.37 73.71 4.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.371 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.25 21.36 68.22 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.529 ' HD2' ' CE1' ' A' ' 70' ' ' TYR . 0.4 OUTLIER -171.69 -179.65 2.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.767 . . . . 0.0 109.332 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.59 ' HB3' HG23 ' A' ' 17' ' ' THR . 60.7 m -121.28 153.13 38.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 34.5 m-85 -128.42 151.16 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 60.1 p -136.74 143.77 43.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.628 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.5 ttm -151.11 119.37 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 mt -135.47 144.91 32.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.829 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.87 120.7 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.524 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 67.3 m-80 -115.83 126.57 54.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.7 m-20 84.19 97.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.696 HD21 HG21 ' A' ' 74' ' ' VAL . 65.6 mt -107.56 133.89 51.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.639 HD11 ' HD3' ' A' ' 116' ' ' LYS . 10.3 tp -39.19 -50.06 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.576 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 20.2 mmtt -124.44 158.68 60.72 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.489 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.97 167.04 27.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -144.09 159.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -91.3 121.14 32.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.463 HG22 ' C ' ' A' ' 53' ' ' PHE . 55.3 t -67.08 -68.3 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -42.36 -40.65 2.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.2 -31.95 40.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.472 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.9 m -57.09 141.69 45.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 0.796 . . . . 0.0 110.001 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.413 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -144.02 159.03 43.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.541 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -122.34 143.22 49.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -134.85 164.45 27.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.55 126.39 44.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.253 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 3.5 ptpt -111.09 176.78 4.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.2 m -55.23 119.04 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 44.79 33.75 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.4 m -154.86 144.92 21.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.618 HG21 HD11 ' A' ' 60' ' ' LEU . 7.1 p -113.42 130.37 67.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.775 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -103.83 145.09 30.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.462 HD13 ' O ' ' A' ' 96' ' ' LEU . 15.0 mm -135.86 90.63 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 87' ' ' SER . 4.3 mt -76.32 120.87 22.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 2.5 m -119.96 112.61 19.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 108.313 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.8 mmp_? -57.37 148.06 24.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -95.3 115.76 27.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -58.88 -26.02 63.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -149.88 112.36 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -67.46 174.22 3.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 57.06 58.21 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.491 HG21 ' HD2' ' A' ' 79' ' ' LYS . 1.4 m -147.18 146.99 30.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.43 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.24 147.68 29.88 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.581 ' HA ' HD23 ' A' ' 78' ' ' LEU . 14.0 m0 -115.37 100.5 8.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 108.013 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.3 m-20 -66.79 -18.36 65.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 61.8 m-85 -162.58 133.65 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.489 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -41.89 -46.12 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.432 HG22 HD23 ' A' ' 77' ' ' LEU . 23.6 p -123.47 170.72 10.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.39 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.522 ' HG2' HD12 ' A' ' 78' ' ' LEU . 15.9 mt-30 -76.02 -40.5 53.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' GLN . 34.1 t -40.01 -63.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -46.77 -51.32 16.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.639 ' HD3' HD11 ' A' ' 78' ' ' LEU . 4.4 tttt -52.09 -69.82 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 116' ' ' LYS . 9.2 mm-40 -38.29 -62.55 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -58.85 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.64 -57.2 3.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -94.09 84.28 4.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.296 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.3 -65.62 0.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.3 p -90.8 86.21 6.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.959 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -146.08 -170.5 14.8 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 63.88 5.97 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.1 t -64.92 -59.11 4.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.951 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.1 m -73.45 138.98 45.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -165.9 97.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 0.761 . . . . 0.0 109.978 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.26 163.26 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.994 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.38 136.18 3.77 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.511 1.132 . . . . 0.0 111.069 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.34 98.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 0.791 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -171.0 155.42 4.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.93 102.5 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.1 t -130.91 132.61 63.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 0.755 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -128.95 137.68 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.35 100.1 16.99 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.539 ' O ' HG23 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.02 176.36 10.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.495 1.787 . . . . 0.0 111.008 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pp -64.78 119.63 9.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 11' ' ' PRO . 58.6 p -120.14 119.63 33.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.393 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.41 HG23 ' C ' ' A' ' 13' ' ' THR . 2.2 p 56.42 18.06 3.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.09 117.74 5.38 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.491 1.119 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 5.2 p90 -129.15 157.27 42.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 0.737 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.566 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -82.81 147.63 28.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.403 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 71' ' ' SER . 30.8 t -76.27 151.17 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.35 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -104.07 115.17 29.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.831 HD12 ' HB2' ' A' ' 72' ' ' MET . 19.3 mt -72.63 109.5 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.61 -65.41 1.01 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 109.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.02 120.06 24.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.642 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 22.7 p90 -148.46 133.68 18.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.592 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -83.8 136.63 15.12 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.449 1.093 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.572 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 36.7 p-90 -143.87 144.42 31.74 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -136.82 168.93 18.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.572 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.2 pm0 -147.72 144.63 28.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.28 151.73 45.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -64.38 77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.9 OUTLIER 171.26 -54.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 51.3 m-85 -155.48 166.86 32.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.012 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.1 t -114.79 141.69 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.1 ttpt -145.95 148.89 33.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -122.19 149.69 25.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.127 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.762 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -133.39 104.04 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.715 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -101.35 147.26 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.8 m -92.58 103.75 16.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.396 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.813 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.34 99.4 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.75 111.82 10.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 110.346 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.404 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.37 -24.18 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.813 HG12 ' O ' ' A' ' 38' ' ' LEU . 12.0 p -57.06 -20.03 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.8 p-80 -89.47 -4.13 58.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -103.19 -22.8 13.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.525 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.1 m -82.29 151.65 66.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.032 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.6 t -74.43 -3.87 33.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.356 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER -82.4 -23.42 34.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 78.6 m-20 -93.63 -21.67 19.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.52 92.25 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -107.36 110.59 22.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.47 137.43 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.406 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 74.4 t60 -125.74 135.81 52.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.581 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.583 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 28.9 m-85 -103.95 144.75 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 57' ' ' SER . 25.1 p -127.83 -164.68 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.441 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -77.11 -41.71 40.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.46 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 3.5 mmm180 -141.3 54.78 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.68 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 175.6 172.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.39 127.52 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.1 p-10 -106.07 148.49 27.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.832 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.49 114.31 6.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.841 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -108.52 150.35 27.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.368 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.841 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.4 t -145.58 106.1 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -101.54 163.81 12.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.525 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.0 t-20 40.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.656 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -121.3 -122.38 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.42 76.96 6.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.27 19.06 68.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.538 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -169.71 -169.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.566 ' HB2' HG23 ' A' ' 17' ' ' THR . 32.2 p -133.23 152.2 51.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.979 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.581 ' CD2' HD21 ' A' ' 38' ' ' LEU . 7.0 m-85 -129.58 148.54 51.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 18' ' ' VAL . 28.0 p -134.82 140.06 45.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.831 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -144.88 120.42 10.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.981 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.7 mt -135.31 145.02 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.03 123.11 59.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.533 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 35.0 m-80 -120.33 129.08 53.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.533 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.1 m-20 84.61 86.92 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.735 HD21 ' CG2' ' A' ' 74' ' ' VAL . 57.3 mt -97.76 132.46 43.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.626 HD22 ' H ' ' A' ' 110' ' ' TYR . 8.4 tp -39.9 -49.1 2.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.6 mmtt -123.66 159.02 57.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.46 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.5 Cg_endo -74.96 167.26 27.45 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.458 1.767 . . . . 0.0 111.001 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.691 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -150.43 141.22 16.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 142.18 50.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG22 ' C ' ' A' ' 53' ' ' PHE . 40.4 t -87.41 -68.78 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -49.06 -23.56 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.94 -29.51 11.58 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.122 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.5 m -62.95 162.02 11.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -155.74 160.18 40.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.515 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.23 141.04 51.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.5 mtmt -139.06 160.69 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 95' ' ' VAL . 88.3 t -134.58 128.09 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.532 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -108.15 177.13 4.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.1 m -59.32 118.28 5.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 49.03 32.96 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 36' ' ' ILE . 24.8 m -157.6 142.56 16.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.832 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -109.97 129.4 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.2 mt -100.69 147.66 25.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 96' ' ' LEU . 13.7 mm -137.05 90.56 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 5.6 mt -77.01 120.14 21.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 25.1 m -120.1 113.75 20.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 108.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.691 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.7 mmp_? -58.56 148.56 28.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -100.02 117.94 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -58.01 -29.18 65.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.39 118.46 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.44 -179.67 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 32.6 m-20 49.77 56.97 7.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 1.125 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.531 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.7 m -140.75 146.69 38.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.24 155.85 18.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.8 m0 -124.61 97.94 5.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 107.994 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -67.7 -15.78 63.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.626 ' H ' HD22 ' A' ' 78' ' ' LEU . 69.7 m-85 -162.43 151.18 14.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -64.03 -36.15 83.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.507 HG23 HD13 ' A' ' 111' ' ' LEU . 19.3 p -133.1 173.44 11.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -79.4 -26.28 41.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.4 t -63.41 -51.52 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.277 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 17.3 tt0 -52.81 -23.29 6.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -78.83 -50.93 10.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -67.73 -33.47 74.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.0 m -70.52 -49.82 44.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 108.308 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.492 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -56.27 -63.21 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -101.56 91.85 4.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.9 mmmt -55.73 99.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 t -115.57 168.51 9.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -126.93 148.4 17.29 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -59.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.443 1.76 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.51 86.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.93 116.57 11.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.555 1.16 . . . . 0.0 111.004 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m 61.56 145.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 0.769 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -175.16 156.46 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.025 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.75 -115.2 0.31 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 t 65.03 143.66 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 0.738 . . . . 0.0 110.029 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 175.85 160.61 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.011 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.38 141.51 5.94 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.103 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.2 t -122.32 122.28 65.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.533 0.784 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.12 153.17 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.17 102.59 36.94 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.02 3.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 11.5 pt -69.94 161.32 4.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.5 ' O ' ' C ' ' A' ' 14' ' ' THR . 70.3 p -109.14 132.51 54.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 110.352 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.5 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -30.91 -48.21 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.446 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.95 -110.61 0.49 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -166.4 175.67 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 0.762 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.591 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -103.18 147.73 26.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.412 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 71' ' ' SER . 25.7 t -76.46 151.11 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.95 118.04 35.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.799 HD12 ' HB2' ' A' ' 72' ' ' MET . 25.1 mt -77.88 96.66 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -80.81 -63.08 1.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.979 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -83.39 120.35 25.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 31.9 p90 -149.2 127.25 11.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.589 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -74.6 139.53 25.65 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.479 1.112 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 42.2 p-90 -148.01 144.15 27.74 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 25' ' ' TRP . 1.0 OUTLIER -139.05 174.81 10.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' N ' ' OE1' ' A' ' 27' ' ' GLN . 13.1 pm0 -152.63 144.67 23.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 74.9 m -140.17 154.68 47.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.004 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 43.9 m-20 -64.53 77.73 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 3.2 mtmt 170.22 -55.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 49.3 m-85 -156.21 168.04 28.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.5 t -121.41 143.82 32.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.36 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 5.7 ptmt -145.78 158.02 43.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.835 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.7 mp -127.17 145.61 34.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CZ ' ' HG3' ' A' ' 33' ' ' LYS . 0.7 OUTLIER -124.26 112.56 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.751 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -111.42 145.28 17.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 m -90.87 104.76 17.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.841 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.88 99.57 4.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -73.27 123.54 23.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.355 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 106.54 -22.51 30.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.553 1.158 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.841 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.6 p -56.33 -23.97 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.541 0.789 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.53 1.18 50.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.612 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.58 -37.53 4.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.4 m -65.16 153.12 90.06 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 169.8 21.81 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.494 1.786 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t -74.42 -3.77 32.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -83.37 -24.95 31.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.43 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 15.9 m-20 -89.82 -21.14 22.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.0 t -104.06 97.96 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -112.27 113.8 26.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.06 137.21 57.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 59.3 t60 -125.41 136.82 53.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.514 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 31.0 m-85 -104.91 145.91 29.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.498 ' CA ' HG22 ' A' ' 83' ' ' VAL . 20.1 p -128.46 -164.69 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.363 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.7 pt-20 -77.52 -41.22 39.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' SER . 12.5 mmm-85 -141.57 55.21 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.736 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.1 p 175.01 173.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.956 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.831 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.7 127.91 0.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.546 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.0 p-10 -107.14 144.41 33.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.753 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -140.37 114.16 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.813 HD13 ' N ' ' A' ' 62' ' ' VAL . 1.5 tm? -105.62 149.41 26.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.813 ' N ' HD13 ' A' ' 61' ' ' LEU . 92.1 t -146.74 113.22 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.658 ' HE3' HD21 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -113.31 159.33 19.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.668 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.9 OUTLIER 44.66 93.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -129.99 -135.06 0.21 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.419 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.2 t-20 -70.88 70.61 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.01 20.1 68.49 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -169.17 175.82 5.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 0.73 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.591 ' HB2' HG23 ' A' ' 17' ' ' THR . 23.6 p -118.05 154.83 31.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.636 ' CG ' HD21 ' A' ' 38' ' ' LEU . 29.8 m-85 -130.93 151.08 51.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 18' ' ' VAL . 66.6 p -134.89 143.67 47.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.799 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -152.2 120.91 6.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 111.023 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.4 mt -138.55 143.57 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.831 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.9 119.16 50.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.286 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 10.7 m-80 -113.61 127.32 56.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 1.1 m-20 83.14 98.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.736 HD12 ' N ' ' A' ' 57' ' ' SER . 53.6 mt -105.83 133.7 50.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.621 HD11 ' HD3' ' A' ' 116' ' ' LYS . 11.7 tp -40.25 -48.77 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.531 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 13.5 mmtt -122.94 159.05 55.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.243 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.442 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.54 28.96 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -149.43 143.55 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.43 134.44 45.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.498 HG22 ' CA ' ' A' ' 54' ' ' THR . 49.9 t -80.22 -68.41 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -52.05 -20.33 2.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.91 -31.3 8.7 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 0.0 111.046 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.514 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.2 m -62.24 155.24 25.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.433 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -148.79 162.35 39.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.489 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.07 134.29 54.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.3 mtmm -130.03 161.35 31.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 31.4 t -135.02 133.77 53.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.32 -172.85 2.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.1 m -67.09 107.87 2.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.404 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 58.78 26.52 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' ILE . 55.2 m -147.32 148.76 31.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.414 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 60' ' ' LEU . 6.2 p -117.35 121.15 66.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.835 HD23 ' O ' ' A' ' 34' ' ' ILE . 0.7 OUTLIER -95.92 132.54 41.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.519 HD11 ' CD1' ' A' ' 60' ' ' LEU . 15.9 mm -117.95 90.39 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 33' ' ' LYS . 29.4 mt -73.42 121.77 21.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.1 m -120.35 113.95 21.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 108.287 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.6 mmp_? -59.65 148.19 34.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -99.94 123.77 44.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 61.1 tttt -70.41 -26.66 63.79 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.4 t -140.88 127.66 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -74.0 177.2 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.315 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 73.6 m-80 42.34 56.23 3.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.527 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.6 m -132.24 132.15 42.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -98.83 146.49 25.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.531 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.5 m0 -112.82 103.75 11.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 107.987 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.482 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 3.1 m-20 -65.02 -21.72 66.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.595 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -160.71 147.6 15.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.532 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.9 OUTLIER -50.25 -45.34 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.49 HG23 HD13 ' A' ' 111' ' ' LEU . 36.9 p -127.53 -179.92 5.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.544 ' HG2' HD12 ' A' ' 78' ' ' LEU . 5.9 mt-30 -81.77 -36.09 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 39.3 t -48.02 -64.38 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -44.86 -46.58 10.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.621 ' HD3' HD11 ' A' ' 78' ' ' LEU . 12.9 tttt -55.09 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' LYS . 4.4 mm-40 -38.64 -64.35 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.8 t -49.72 -55.65 13.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.298 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.47 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -46.82 -59.45 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -99.52 79.38 2.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.87 -71.27 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.5 130.09 22.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -177.28 96.27 0.1 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 130.57 13.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 30.4 t 58.95 96.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.993 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 6.6 t -91.69 112.23 24.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.953 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.0 p -179.02 160.68 1.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 109.958 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -175.07 139.67 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.956 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.54 -137.97 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.483 1.115 . . . . 0.0 111.01 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -116.54 -59.04 2.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 0.794 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.93 80.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.162 . . . . 0.0 109.959 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.98 145.31 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -130.12 139.58 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.525 0.78 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 p -106.07 132.26 53.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.19 120.6 19.2 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.248 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.06 -179.98 5.54 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.482 1.78 . . . . 0.0 111.017 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.74 101.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 11' ' ' PRO . 74.6 p -125.9 115.34 19.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.379 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 p 41.33 -153.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.416 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.93 -44.07 1.5 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.54 1.15 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.515 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -171.76 170.95 5.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 0.732 . . . . 0.0 111.038 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.536 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -139.17 147.17 41.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.373 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.508 HG21 ' HE2' ' A' ' 68' ' ' LYS . 39.9 t -76.72 154.83 5.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -106.26 118.94 37.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.841 HD12 ' HB2' ' A' ' 72' ' ' MET . 33.2 mt -76.38 108.61 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 69.7 m -90.8 -62.13 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -82.85 119.83 24.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.594 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 29.0 p90 -149.47 128.14 12.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.6 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -78.46 140.49 23.64 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.594 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.3 p-90 -144.43 148.33 34.48 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.042 -1.096 . . . . 0.0 108.042 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -144.83 146.44 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.594 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -128.64 144.59 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 30' ' ' LYS . 16.6 m -140.37 152.15 45.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.93 77.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 171.28 -55.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 52.6 m-85 -155.74 166.14 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.5 t -113.21 142.0 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 18.8 ttpt -145.78 149.85 35.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.629 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -124.11 148.43 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.76 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -133.42 106.37 7.45 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 110.952 -179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.618 ' O ' HG23 ' A' ' 94' ' ' THR . 2.9 mp -103.9 147.47 10.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -93.31 104.82 16.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.436 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD12 HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -136.87 102.19 4.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.83 108.25 10.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.363 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 125.03 -25.49 5.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.531 1.144 . . . . 0.0 111.025 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.713 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.8 p -56.99 -20.36 12.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.511 0.771 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.3 p-80 -89.73 1.79 55.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.577 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -108.79 -19.69 13.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 110.31 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.544 HG11 ' O ' ' A' ' 64' ' ' ASN . 24.4 m -85.97 152.05 55.64 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 170.36 20.57 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -74.16 -3.75 31.61 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.7 pt-20 -83.68 -24.72 31.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 70.1 m-20 -89.66 -25.21 21.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 46.3 t -96.05 104.3 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -115.96 111.37 20.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.31 131.15 69.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.8 t-160 -120.59 132.68 55.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.63 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.587 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.4 m-85 -101.01 147.13 26.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 57' ' ' SER . 24.8 p -129.84 -164.94 1.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.356 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 2.1 pt-20 -77.02 -42.36 38.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 13.2 mmm-85 -140.39 54.98 1.61 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.764 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 176.03 170.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.84 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -167.62 127.41 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.1 p-10 -107.2 148.9 28.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.821 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.11 114.71 6.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.84 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.6 OUTLIER -109.52 150.66 27.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.84 ' H ' HD22 ' A' ' 61' ' ' LEU . 62.5 t -145.15 104.34 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.509 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.63 162.23 13.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.544 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.1 t-20 39.06 89.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.725 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -118.4 -115.25 0.33 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -98.3 79.29 2.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.92 15.31 64.62 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.488 1.118 . . . . 0.0 111.021 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HE2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -168.64 -169.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.536 ' CB ' HG23 ' A' ' 17' ' ' THR . 50.0 m -131.22 153.63 49.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.006 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.531 ' CD2' HD21 ' A' ' 38' ' ' LEU . 9.3 m-85 -129.17 149.66 50.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.9 p -136.07 142.68 44.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.841 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -148.96 118.19 6.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.015 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.8 mt -133.75 145.17 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.84 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.7 122.9 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.493 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 27.0 m120 -119.75 133.22 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.493 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.6 m-20 81.65 83.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 57' ' ' SER . 61.3 mt -92.6 129.41 38.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 113' ' ' GLN . 5.0 tp -37.75 -46.42 0.91 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.7 mmtt -127.41 160.21 61.46 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.14 31.9 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.469 1.773 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.32 145.82 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -78.26 130.89 36.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.986 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 86' ' ' SER . 49.2 t -78.33 -68.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -45.52 -25.32 0.43 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.347 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.48 -30.5 9.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.587 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.6 m -62.13 150.32 38.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.995 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.2 m -144.7 162.6 36.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.969 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.501 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.16 141.07 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -139.33 159.41 42.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.495 HG22 HG23 ' A' ' 95' ' ' VAL . 47.5 t -134.74 126.37 47.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 109.243 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -107.34 177.55 4.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.5 m -58.31 121.94 12.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 44.9 29.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 36' ' ' ILE . 23.4 m -153.07 142.04 21.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 60' ' ' LEU . 6.4 p -110.96 130.21 64.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.76 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -101.92 147.56 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.528 HD11 ' CD1' ' A' ' 60' ' ' LEU . 14.7 mm -136.49 89.64 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.474 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.92 118.67 18.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 14.9 m -120.12 112.04 18.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 108.301 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.679 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.1 mmp_? -57.73 148.79 23.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.431 ' CE ' ' NE1' ' A' ' 108' ' ' TRP . 0.9 OUTLIER -99.9 121.91 42.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -67.66 -26.42 66.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.1 t -140.74 124.58 17.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.14 178.33 4.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.425 1.078 . . . . 0.0 110.287 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 40.39 58.23 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.492 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.3 m -135.49 126.48 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 110.407 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.95 151.54 23.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.0 m0 -120.74 98.04 5.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 108.011 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 61.2 m-20 -63.94 -19.09 64.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.637 ' H ' HD22 ' A' ' 78' ' ' LEU . 88.9 m-85 -158.54 138.55 12.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.557 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -49.18 -36.18 18.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.359 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.426 ' HB ' HG12 ' A' ' 114' ' ' VAL . 9.1 p -124.44 157.32 35.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.408 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.791 ' HA ' HD12 ' A' ' 78' ' ' LEU . 24.8 tt0 -70.18 -36.97 75.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.57 HG13 ' H ' ' A' ' 115' ' ' GLU . 5.0 p -48.04 -58.56 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.57 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.1 OUTLIER -38.94 -58.24 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.483 ' HA ' ' CE2' ' A' ' 110' ' ' TYR . 17.4 ttpt -40.53 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 116' ' ' LYS . 5.1 mm-40 -37.97 -63.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 6.2 t -47.15 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 108.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.527 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 3.1 mmpt? -43.58 -61.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -45.59 -61.24 1.78 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.32 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -46.0 143.99 2.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.1 t -120.45 100.36 7.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -76.02 -174.79 37.85 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.529 1.143 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -49.66 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.0 m -109.87 160.28 16.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.967 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 42.8 m -53.5 110.75 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 55.44 101.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 0.743 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t -139.3 142.7 37.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.979 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.01 176.18 42.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.575 1.172 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.74 84.52 2.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 0.768 . . . . 0.0 109.951 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.0 158.18 0.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 110.015 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.69 97.28 0.14 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.08 136.62 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p -121.25 143.92 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.24 115.35 17.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 88.75 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.84 155.91 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 14' ' ' THR . 29.8 p -124.3 132.87 53.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.352 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -35.58 149.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.396 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.42 143.63 3.8 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.443 1.09 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.538 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -175.52 173.44 2.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.6 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -137.74 146.96 44.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.424 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.516 HG21 ' HE2' ' A' ' 68' ' ' LYS . 50.5 t -77.11 155.08 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.04 125.1 50.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.887 HD12 ' HB2' ' A' ' 72' ' ' MET . 32.0 mt -82.88 95.16 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -79.67 -59.89 2.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.13 119.99 26.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 29.0 p90 -149.43 130.9 14.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.561 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.32 138.75 18.9 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.563 1.165 . . . . 0.0 111.04 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.578 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 40.6 p-90 -144.72 147.38 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -144.96 147.63 32.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.578 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 19.7 pm0 -124.88 147.78 48.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.117 . . . . 0.0 110.362 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.14 151.21 45.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.424 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.8 m-20 -63.89 79.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 8.9 mttt 168.9 -54.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.555 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.3 m-85 -155.71 168.09 28.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 t -114.31 140.1 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.607 ' CG ' HD22 ' A' ' 96' ' ' LEU . 12.1 ttpt -144.82 145.61 31.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.615 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.6 mp -119.82 151.57 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.785 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -135.33 109.12 8.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.955 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.757 ' O ' HG23 ' A' ' 94' ' ' THR . 3.2 mp -108.2 153.32 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.266 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -96.93 104.38 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.402 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.726 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -136.6 100.43 4.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -72.67 123.39 23.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.395 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.421 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 107.44 -22.8 28.08 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -58.15 -18.09 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -92.38 -5.02 52.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -107.31 -26.12 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.7 m -72.23 155.29 91.69 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 169.23 23.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.7 t -75.33 -4.61 40.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -86.57 -26.87 24.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.414 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 76.3 m-20 -86.11 -15.21 41.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -109.29 97.73 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -112.91 113.81 26.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -128.0 135.64 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.425 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 67.5 t60 -123.99 134.56 53.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.58 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 51.7 m-85 -103.86 147.43 27.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 111.02 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.459 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 34.3 p -129.22 -164.84 1.44 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.4 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 3.6 pt-20 -78.21 -39.79 39.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.73 60.16 1.48 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.614 ' N ' HD12 ' A' ' 77' ' ' LEU . 4.0 p 166.21 172.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.787 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -167.21 127.97 1.53 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.484 ' O ' ' HA ' ' A' ' 51' ' ' VAL . 5.0 p-10 -106.71 139.58 40.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.747 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -136.04 113.61 10.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.865 HD22 ' H ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -103.9 149.22 25.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.865 ' H ' HD22 ' A' ' 61' ' ' LEU . 94.0 t -147.15 112.39 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.563 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -110.78 167.08 10.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.501 ' O ' HG11 ' A' ' 44' ' ' VAL . 1.7 t-20 38.86 90.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.539 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -125.95 -130.68 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -76.46 72.44 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.87 19.97 66.05 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -166.94 -176.18 3.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.6 ' HB3' HG23 ' A' ' 17' ' ' THR . 50.7 m -125.88 151.49 46.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.953 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.676 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.4 m-85 -130.6 147.95 52.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.5 p -133.44 141.57 47.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.887 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.1 ttt -148.35 118.99 7.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 9.9 mt -136.19 144.86 31.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.787 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.05 121.65 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.498 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 34.0 m-20 -117.21 129.12 55.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.4 m-20 82.24 93.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.254 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.768 HD21 ' CG2' ' A' ' 74' ' ' VAL . 39.7 mt -104.46 134.99 46.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.531 HD11 ' HE3' ' A' ' 116' ' ' LYS . 10.3 tp -38.89 -47.88 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.55 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 15.8 mmtt -124.91 158.62 62.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.478 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -75.04 166.32 29.41 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.794 . . . . 0.0 111.034 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.696 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -146.93 138.95 18.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.39 131.44 44.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.997 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 45.8 t -76.64 -67.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -50.44 -22.07 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 110.292 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.77 -31.01 8.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.523 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 3.8 m -60.26 158.08 12.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.465 ' O ' ' CZ ' ' A' ' 53' ' ' PHE . 1.1 m -153.23 162.48 41.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.511 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -125.48 137.72 53.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -134.46 162.47 32.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.462 HG22 HG23 ' A' ' 95' ' ' VAL . 31.2 t -135.04 136.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.33 -178.36 3.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.9 m -59.35 118.77 6.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.388 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.5 p30 45.03 32.11 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 36' ' ' ILE . 29.1 m -153.28 144.69 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.402 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 60' ' ' LEU . 6.9 p -113.91 128.96 70.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.785 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -99.3 145.23 27.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' A' ' 60' ' ' LEU . 21.7 mm -133.67 90.3 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.422 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.0 mt -77.11 119.34 20.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 32.7 m -119.0 110.44 17.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 108.331 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.696 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.8 mmp_? -58.57 148.49 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -98.56 135.25 40.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -73.8 -24.47 59.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.98 118.68 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -64.45 175.9 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.301 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 53.55 54.63 9.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.525 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.8 m -138.07 129.67 28.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.43 155.11 18.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.357 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.0 m0 -123.84 96.94 5.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 33.2 m-20 -64.14 -19.19 65.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.547 ' CG ' ' O ' ' A' ' 109' ' ' ASP . 89.1 m-85 -162.79 141.96 8.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.494 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.4 OUTLIER -50.21 -42.11 50.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.6 p -126.38 173.9 9.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.512 ' HG2' HD12 ' A' ' 78' ' ' LEU . 21.2 mt-30 -79.85 -34.03 39.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.2 t -49.52 -63.08 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -43.63 -52.56 6.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.531 ' HE3' HD11 ' A' ' 78' ' ' LEU . 4.3 ttmm -45.35 -63.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -54.19 -59.29 4.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 49.4 t -42.7 -58.67 2.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 108.318 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.451 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 3.5 mmmt -48.12 -63.76 0.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -83.14 85.31 7.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.27 -63.78 1.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.5 t -148.4 104.67 3.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.966 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 112.85 124.95 4.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 88.09 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.95 142.49 41.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.015 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.1 p -92.37 113.83 26.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.447 1.092 . . . . 0.0 110.981 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -154.19 -58.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.43 82.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.26 157.9 9.62 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.14 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.99 148.28 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 0.79 . . . . 0.0 109.978 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.31 -58.92 0.17 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.01 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.81 171.21 13.04 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.9 t -118.7 127.37 75.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -132.05 148.83 32.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -99.23 109.36 54.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 96.93 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.487 1.782 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -64.5 139.43 21.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.434 ' C ' ' CG2' ' A' ' 14' ' ' THR . 10.8 p -113.75 93.31 4.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 110.341 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.434 ' CG2' ' C ' ' A' ' 13' ' ' THR . 0.1 OUTLIER 39.05 82.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.406 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 39.84 -100.12 0.01 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -146.72 173.0 12.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 0.759 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.65 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -81.08 146.08 30.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -77.16 155.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.47 123.25 47.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.873 HD12 ' HB2' ' A' ' 72' ' ' MET . 28.9 mt -82.57 82.65 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.8 t -74.84 -37.1 62.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.971 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -104.38 120.2 40.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.566 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 38.2 p90 -149.5 138.05 20.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.15 128.47 9.4 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.522 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 27.6 p-90 -129.35 148.81 51.3 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.606 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -161.41 132.65 5.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.449 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 3.9 pp0? -140.93 167.79 21.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.278 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -140.0 172.09 13.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.989 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -66.91 77.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.1 mtmp? 176.66 -55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.5 m-85 -151.15 170.97 18.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 110.988 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 48.7 t -120.35 137.07 55.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.574 1.171 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.526 ' CG ' HD22 ' A' ' 96' ' ' LEU . 18.8 ttpt -146.88 148.31 31.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.673 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -123.59 149.45 27.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.81 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -131.19 105.5 7.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 111.037 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.773 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -102.71 146.42 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.44 101.25 13.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.426 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.806 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -131.59 107.25 8.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 m -78.26 121.21 24.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.359 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.442 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 108.86 -21.7 27.1 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.806 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.7 p -56.75 -21.29 13.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.3 p-80 -90.38 1.42 56.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.622 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -113.75 -21.81 10.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.108 . . . . 0.0 110.337 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.4 m -81.0 154.17 72.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.436 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.03 168.5 24.68 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.514 1.797 . . . . 0.0 111.02 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 t -75.02 -4.68 39.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.396 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -86.66 -25.17 24.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.436 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 69.8 m-20 -85.0 -14.78 46.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.436 HG11 ' CE ' ' A' ' 88' ' ' LYS . 21.8 t -106.94 108.54 25.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -117.18 113.58 22.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.701 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -131.61 136.76 56.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.7 t-160 -124.83 135.59 53.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 109.595 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.49 ' C ' HG22 ' A' ' 83' ' ' VAL . 28.9 m-85 -102.03 146.31 28.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 57' ' ' SER . 2.5 p -128.73 -166.09 1.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 110.385 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -79.88 -36.89 35.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.3 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 15.8 mmm-85 -143.93 52.62 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.688 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.1 p 176.29 175.9 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.987 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.854 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.03 127.26 0.58 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.701 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 p-10 -105.86 145.41 31.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.757 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.64 116.78 9.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.276 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.791 HD13 ' C ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -110.42 148.34 32.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.283 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.764 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.7 t -142.19 109.4 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -105.46 159.88 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.657 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.4 t-20 44.27 94.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.544 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -131.7 -136.15 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.1 t-20 -69.53 70.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' LEU . . . 65.34 20.63 67.7 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.495 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -169.29 177.5 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.65 ' HB2' HG23 ' A' ' 17' ' ' THR . 6.8 p -118.78 154.8 32.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.586 ' CG ' HD21 ' A' ' 38' ' ' LEU . 30.6 m-85 -132.0 145.86 51.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.7 p -130.15 142.26 50.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.873 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -149.3 122.21 8.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.4 mt -137.33 145.45 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.854 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.06 122.4 58.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.508 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 7.4 m-80 -116.72 127.12 54.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 83.06 96.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.701 HD21 HG21 ' A' ' 74' ' ' VAL . 43.6 mt -104.5 135.46 45.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.834 HD11 ' HD3' ' A' ' 116' ' ' LYS . 11.3 tp -38.91 -48.76 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.6 mmtt -128.07 159.96 64.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.486 ' CG ' ' HE2' ' A' ' 102' ' ' LYS . 18.5 Cg_endo -74.94 167.41 27.13 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.706 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.0 154.95 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -89.19 104.47 17.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.993 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.49 HG22 ' C ' ' A' ' 53' ' ' PHE . 35.8 t -49.7 -65.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 83' ' ' VAL . 38.8 mt-10 -38.76 -51.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.38 -33.53 72.96 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 82' ' ' SER . 14.7 m -50.06 151.25 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.5 m -156.04 158.6 38.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.59 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -120.4 142.55 49.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.095 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.6 mtmm -136.92 163.23 31.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.4 t -135.44 139.03 47.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' HE3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -120.7 -172.62 2.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.9 m -65.84 106.65 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 56.28 36.39 27.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 109.304 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.773 HG23 ' O ' ' A' ' 36' ' ' ILE . 18.9 m -156.73 140.69 16.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.757 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -108.24 125.36 64.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.4 mt -98.2 141.6 30.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.501 HD11 ' CD1' ' A' ' 60' ' ' LEU . 16.9 mm -129.5 91.45 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.7 mt -78.01 118.22 20.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.433 ' HB3' HG21 ' A' ' 81' ' ' ILE . 2.1 m -119.64 108.04 13.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 108.285 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.706 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.5 mmp_? -57.29 147.59 25.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -90.24 130.19 36.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.486 ' HE2' ' CG ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -70.01 -26.32 64.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 103' ' ' VAL . 1.7 m -150.19 111.32 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -57.13 -179.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 44.53 65.78 1.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.426 HG21 ' HD2' ' A' ' 79' ' ' LYS . 1.3 m -159.09 98.29 1.44 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.37 149.62 49.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.567 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.0 m0 -111.0 92.88 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 107.961 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.412 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 76.6 m-20 -54.66 -23.63 18.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.617 ' H ' HD22 ' A' ' 78' ' ' LEU . 72.1 m-85 -157.06 149.96 23.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 111.048 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.522 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.4 OUTLIER -55.77 -53.53 55.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.564 HG22 HD23 ' A' ' 77' ' ' LEU . 25.3 p -120.16 169.64 10.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.428 ' HG2' HD12 ' A' ' 78' ' ' LEU . 10.9 mt-30 -68.93 -43.48 75.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 55.1 t -40.33 -64.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.1 tt0 -42.21 -55.83 3.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.834 ' HD3' HD11 ' A' ' 78' ' ' LEU . 12.3 ttpt -48.46 -65.98 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -44.27 -55.68 4.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.83 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 108.28 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.477 ' HA ' ' CE ' ' A' ' 119' ' ' LYS . 3.0 mmpt? -44.59 -51.87 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -93.74 -147.48 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -62.63 145.42 54.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.8 p -152.9 173.82 14.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 110.022 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -93.95 -159.72 34.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.92 3.03 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.549 1.815 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.1 163.08 0.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.6 p -100.89 105.01 16.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 m -84.94 154.79 21.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 0.77 . . . . 0.0 109.988 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.73 -58.96 2.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.47 -63.27 0.62 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 m 57.96 -91.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 0.744 . . . . 0.0 110.037 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -134.72 -62.2 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.52 167.69 43.94 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -131.75 113.53 22.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.32 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 p -135.01 132.97 53.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.98 123.86 37.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.95 11.91 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.497 1.788 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pt -65.3 160.35 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.3 p -125.73 114.76 19.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.352 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.5 p 41.55 -158.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.412 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 89.18 129.01 3.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.128 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.497 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -174.45 171.18 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 0.804 . . . . 0.0 110.988 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.451 HG23 ' OG ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -133.7 147.41 51.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 110.377 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.7 t -76.25 155.44 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.25 123.85 48.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.875 HD12 ' HB2' ' A' ' 72' ' ' MET . 32.5 mt -83.92 91.98 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.097 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.3 m -78.27 -59.22 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.58 119.55 24.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.612 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 25.1 p90 -149.55 132.58 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.67 135.2 13.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.549 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.532 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 46.9 p-90 -141.99 148.3 38.34 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.473 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.3 OUTLIER -144.94 150.88 37.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.532 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.6 pm0 -129.74 145.63 51.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -139.99 151.02 45.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.414 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 69.0 m-20 -63.69 78.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.5 OUTLIER 169.94 -55.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.09 . . . . 0.0 109.256 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.493 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 54.5 m-85 -156.07 165.78 35.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.0 t -111.52 142.01 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.528 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 22.5 ttpt -145.55 149.2 34.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.634 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -124.79 147.82 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.765 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -131.13 108.48 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.778 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -106.43 147.77 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.8 m -93.87 103.86 15.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.402 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.68 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -134.96 99.7 4.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.3 110.91 10.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.404 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.45 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 122.86 -25.19 6.52 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.8 p -56.87 -23.94 18.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.749 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -88.0 2.77 50.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.604 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -113.6 -25.83 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.723 HG11 ' O ' ' A' ' 64' ' ' ASN . 27.6 m -78.17 154.24 79.8 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 168.96 23.63 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.9 t -74.06 -3.67 30.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.73 -13.28 48.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.416 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 32.7 m-20 -104.76 2.13 29.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.6 t -119.95 101.66 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.331 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -115.69 114.71 25.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -134.42 139.78 47.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.236 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-160 -129.92 133.58 46.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 109.651 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 18.7 m-85 -101.38 146.11 28.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 57' ' ' SER . 12.2 p -128.19 -166.01 1.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.408 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.2 pt-20 -74.86 -41.79 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 57' ' ' SER . 15.4 mmm-85 -141.4 54.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.661 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.76 174.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.883 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.28 127.27 0.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.601 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -103.3 147.39 27.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.63 116.08 7.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 109.343 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.869 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -109.66 150.93 27.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.869 ' H ' HD22 ' A' ' 61' ' ' LEU . 83.8 t -144.69 112.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.533 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -108.16 158.47 17.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.723 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.0 t-20 44.82 94.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.608 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -131.17 -129.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -74.59 71.29 1.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.32 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.86 16.84 64.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -165.57 -179.6 5.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.451 ' OG ' HG23 ' A' ' 17' ' ' THR . 65.8 p -121.86 149.16 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -127.14 149.86 49.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 18' ' ' VAL . 55.1 p -133.18 142.78 48.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.875 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.9 OUTLIER -146.67 121.12 9.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.527 HG12 ' CB ' ' A' ' 59' ' ' ASP . 14.4 mt -134.62 146.65 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.883 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -130.34 128.17 63.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.543 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.8 m-20 -127.84 128.67 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.543 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 5.5 m-20 85.21 84.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.677 HD21 HG21 ' A' ' 74' ' ' VAL . 73.5 mt -95.4 131.56 41.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.692 HD23 ' HA ' ' A' ' 108' ' ' TRP . 13.3 tp -39.44 -46.6 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.725 ' HD2' HG21 ' A' ' 106' ' ' THR . 25.6 mmtt -127.6 159.92 63.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.363 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 166.58 28.86 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.09 138.46 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.95 132.95 47.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 86' ' ' SER . 68.0 t -79.01 -68.06 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -47.67 -25.35 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.55 -25.29 21.36 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.511 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 2.1 m -64.91 156.12 32.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 109.992 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 98' ' ' LEU . 11.4 m -153.64 168.58 25.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.037 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.585 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -132.43 145.88 51.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.485 ' O ' ' N ' ' A' ' 96' ' ' LEU . 2.5 mtmm -137.84 165.18 27.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.7 t -134.97 125.95 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.071 . . . . 0.0 109.313 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.486 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -111.92 172.1 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 96.8 m -50.27 117.77 2.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.2 p30 44.97 38.55 3.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.778 HG23 ' O ' ' A' ' 36' ' ' ILE . 25.5 m -159.01 144.9 16.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 60' ' ' LEU . 5.7 p -113.79 124.32 70.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.765 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -96.8 145.64 25.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 96' ' ' LEU . 13.3 mm -136.92 90.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.1 mt -76.31 122.7 24.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 52.9 m -119.86 113.94 21.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.694 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.1 mmp_? -58.39 148.43 27.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -101.0 124.94 47.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -66.14 -27.77 68.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.48 116.45 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -66.99 172.3 4.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.7 m120 59.01 49.7 9.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.725 HG21 ' HD2' ' A' ' 79' ' ' LYS . 3.2 m -139.05 106.44 5.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.09 153.0 44.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.315 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.692 ' HA ' HD23 ' A' ' 78' ' ' LEU . 11.6 m0 -119.2 93.94 4.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.532 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 0.6 OUTLIER -58.87 -18.88 36.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.639 ' H ' HD22 ' A' ' 78' ' ' LEU . 89.2 m-85 -162.46 147.27 12.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.521 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.2 OUTLIER -58.65 -31.93 68.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.528 HG22 HD23 ' A' ' 77' ' ' LEU . 11.1 p -142.19 151.08 41.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.447 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.41 ' HG2' HD12 ' A' ' 78' ' ' LEU . 35.7 mt-30 -56.87 -39.42 74.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.652 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.6 p -42.75 -61.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.652 ' H ' HG13 ' A' ' 114' ' ' VAL . 12.9 tt0 -43.95 -44.61 7.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -56.82 -47.96 79.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.248 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -77.59 -13.72 59.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.456 ' N ' ' O ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -83.95 -57.22 3.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 108.339 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -52.98 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.83 85.44 0.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.327 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.28 99.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.7 p -46.42 115.56 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -59.97 -162.01 0.1 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 67.38 5.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.551 1.817 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.05 81.55 0.13 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.056 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.6 m -81.51 129.17 34.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 0.0 110.967 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.4 p -70.01 92.24 0.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 0.74 . . . . 0.0 109.993 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -162.67 161.73 26.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.65 -145.83 5.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 m 61.11 148.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 0.761 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 p -150.38 126.46 10.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.974 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.37 162.25 0.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.435 1.084 . . . . 0.0 110.983 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.625 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.7 p -114.77 98.08 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.506 0.768 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.39 151.69 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.97 108.53 15.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 151.08 38.9 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 pt -65.36 123.97 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 p -90.19 92.3 8.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.38 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p 46.41 25.44 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -130.33 81.73 0.33 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.592 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -88.28 -164.99 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 0.766 . . . . 0.0 110.978 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.692 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -117.58 147.14 43.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' O ' ' N ' ' A' ' 71' ' ' SER . 40.4 t -76.93 152.51 5.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.3 118.46 36.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.817 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.9 mt -77.02 91.94 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.139 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -52.38 8.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 110.023 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -89.13 119.68 29.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.608 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 25.5 p90 -150.07 136.3 18.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.55 130.52 10.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.418 1.074 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.459 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.8 p-90 -132.93 154.82 50.07 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.596 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -168.52 131.38 1.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.554 ' CB ' HG22 ' A' ' 32' ' ' VAL . 2.8 pp0? -136.86 165.32 26.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.29 170.69 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 22.0 m-20 -65.28 82.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 29' ' ' ASP . 0.3 OUTLIER 169.89 -56.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.524 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 52.1 m-85 -150.95 169.91 20.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 111.006 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG22 ' CB ' ' A' ' 27' ' ' GLN . 41.7 t -120.15 137.93 52.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.538 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 19.9 ttpt -146.26 148.9 32.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.638 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -125.44 151.63 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.677 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -133.17 107.82 8.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.976 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.892 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -105.07 145.36 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.99 101.32 13.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.698 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -133.11 105.8 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.456 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 1.6 m -79.31 111.07 15.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.416 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.52 -25.78 6.82 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.698 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.1 p -56.64 -20.75 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -90.26 -1.52 57.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 109.585 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -107.26 -22.25 12.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.634 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.2 m -82.62 152.06 66.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -74.96 170.55 20.15 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.472 1.775 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.3 t -73.54 -3.24 26.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 0.2 OUTLIER -83.81 -23.81 31.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 47' ' ' GLU . 97.7 m-20 -93.93 -6.72 44.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 39.3 t -112.54 105.05 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.346 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.468 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . 1.6 tp-100 -119.06 106.24 12.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -123.28 131.3 73.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-80 -120.58 134.9 55.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.627 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.586 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 39.2 m-85 -103.04 144.95 30.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 57' ' ' SER . 21.3 p -127.06 -164.86 1.39 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.388 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.471 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.7 pt-20 -78.16 -39.87 39.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 18.4 mmm-85 -142.01 53.57 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.703 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.0 OUTLIER 176.15 174.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.964 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.38 127.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.4 p-10 -106.76 151.24 25.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.739 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -143.05 113.14 7.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.265 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.882 HD11 ' HD2' ' A' ' 63' ' ' LYS . 3.4 tm? -98.06 146.1 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.669 ' N ' HD13 ' A' ' 61' ' ' LEU . 84.9 t -147.46 102.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.882 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -105.62 166.55 10.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.634 ' O ' HG11 ' A' ' 44' ' ' VAL . 4.1 t-20 38.7 90.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.651 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -123.89 -125.31 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.097 . . . . 0.0 109.352 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.456 ' ND2' ' O ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -82.86 74.56 9.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.96 19.82 63.87 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.504 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -165.79 -170.15 1.71 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 0.766 . . . . 0.0 109.328 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.692 ' CB ' HG23 ' A' ' 17' ' ' THR . 6.2 m -128.85 157.34 41.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 110.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.526 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.9 m-85 -136.45 149.93 48.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' VAL . 54.4 p -136.33 142.24 43.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.817 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -147.62 120.13 8.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -137.43 144.84 30.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.158 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.804 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -126.76 122.69 61.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.54 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.4 m-80 -120.32 130.32 54.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.54 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.3 m-20 85.12 83.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD21 ' CG2' ' A' ' 74' ' ' VAL . 71.9 mt -95.31 131.31 41.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.8 tp -39.53 -46.72 1.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.569 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 12.2 mmtt -127.94 160.66 60.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.97 165.64 30.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.703 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -143.55 149.16 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 126.64 31.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.459 HG22 ' C ' ' A' ' 53' ' ' PHE . 40.8 t -74.2 -68.89 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -42.86 -37.43 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.09 -32.18 29.76 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.508 1.13 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.586 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 1.8 m -55.6 157.16 4.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.023 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.411 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 2.5 m -155.02 161.49 41.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.496 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -123.62 139.93 53.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.4 mtmt -136.85 161.72 35.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.532 HG22 HG23 ' A' ' 95' ' ' VAL . 92.6 t -134.31 132.84 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.481 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -114.83 178.37 4.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 51.5 m -59.22 121.36 11.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.417 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.8 p30 45.64 31.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.892 HG23 ' O ' ' A' ' 36' ' ' ILE . 28.9 m -156.41 146.2 21.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.398 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.739 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -114.75 128.26 71.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.677 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.4 mt -96.59 148.26 23.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.536 HG21 ' CE1' ' A' ' 58' ' ' PHE . 16.7 mm -136.37 90.13 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -77.14 118.8 20.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.459 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.8 m -119.86 108.74 14.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 108.306 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.703 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.0 mmp_? -57.64 147.31 27.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.473 ' HG3' HG23 ' A' ' 32' ' ' VAL . 17.8 mttt -94.87 143.64 26.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -89.5 -27.1 20.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.8 t -145.39 117.72 2.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -65.82 -174.04 0.2 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.2 m120 40.5 44.95 1.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.451 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -129.13 103.24 6.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.405 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 141.67 47.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 11.4 m0 -107.05 100.77 10.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 108.019 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.461 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 16.0 m-20 -67.03 -16.78 64.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.527 ' H ' HD22 ' A' ' 78' ' ' LEU . 75.0 m-85 -160.08 157.42 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.597 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.2 OUTLIER -69.46 -28.56 66.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.45 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 15.1 p -145.49 152.94 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.388 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' LYS . 28.8 mt-30 -56.82 -39.12 73.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.644 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.6 p -42.39 -60.74 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.644 ' H ' HG13 ' A' ' 114' ' ' VAL . 14.3 tt0 -45.46 -33.91 2.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' GLN . 17.9 tttt -71.65 -56.87 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -60.91 -24.93 66.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.7 t -83.53 -59.66 2.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 108.294 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.446 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 1.5 mmpt? -46.0 -51.42 13.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.12 -56.05 19.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 110.251 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -55.62 121.12 8.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.9 t 44.41 87.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -131.74 -162.1 10.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.51 12.65 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.4 m -68.38 -56.84 7.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.5 m -92.43 113.68 26.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.431 1.082 . . . . 0.0 110.002 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.466 1.103 . . . . 0.0 110.984 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -162.92 172.05 15.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.068 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 m 62.04 154.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.28 -95.28 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.33 116.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 0.0 110.057 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.69 129.71 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.42 116.68 0.54 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -106.52 143.09 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.5 p -123.08 139.32 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.59 127.0 45.49 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 116.61 4.65 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.6 pt -65.51 152.47 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' THR . 64.3 p -113.36 131.84 55.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.367 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -34.89 124.79 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.424 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -137.16 116.14 1.34 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -103.55 158.49 16.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.759 . . . . 0.0 111.021 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.508 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -135.9 147.34 48.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' SER . 17.7 t -77.84 154.61 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -107.21 116.04 31.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.576 HD12 ' HB2' ' A' ' 72' ' ' MET . 11.4 mt -75.18 100.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.9 m -86.08 -55.08 4.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -87.48 120.25 28.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.614 ' HE1' HD12 ' A' ' 111' ' ' LEU . 18.4 p90 -149.37 137.26 20.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.562 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -86.74 135.94 13.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.533 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.3 p-90 -139.15 151.99 47.07 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.6 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.83 -177.46 4.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' OE1' ' N ' ' A' ' 108' ' ' TRP . 21.1 pt20 -163.63 136.41 5.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 30' ' ' LYS . 5.7 t -140.76 128.77 21.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 110.042 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.556 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.9 m-20 -41.51 91.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.77 -55.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.172 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 47.2 m-85 -156.32 166.62 32.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -111.98 139.94 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.59 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.4 ttpt -145.09 148.34 33.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.5 mp -121.84 149.23 25.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.818 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -133.45 103.6 6.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.719 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -98.82 146.27 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 15.5 m -93.25 101.78 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.404 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.752 HD12 HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -135.42 104.89 6.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.231 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.408 ' HA ' ' CG ' ' A' ' 93' ' ' ASP . 1.1 m -79.57 104.25 10.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.423 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 130.91 -28.0 3.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -56.82 -18.08 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 0.777 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.428 ' CE1' ' OD1' ' A' ' 93' ' ' ASP . 21.8 p-80 -90.11 -6.03 55.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.618 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -102.47 -20.92 14.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.495 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.0 m -82.06 150.29 64.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.426 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -75.0 169.92 21.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.484 1.781 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.4 t -72.31 -8.67 56.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.53 1.144 . . . . 0.0 110.399 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -79.93 -22.0 43.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.43 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 84.2 m-20 -94.63 -19.94 20.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.9 t -99.75 99.64 8.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -113.29 112.63 24.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.68 135.1 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.418 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 69.7 t60 -124.48 134.27 53.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.559 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.555 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 37.5 m-85 -102.3 144.21 31.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.5 p -126.98 -167.0 1.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 1.3 pt-20 -74.16 -41.82 60.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.468 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 4.5 mmm180 -141.53 59.87 1.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.72 ' N ' HD12 ' A' ' 77' ' ' LEU . 2.1 p 169.23 170.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.019 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.841 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.98 127.98 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.62 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.7 p-10 -105.66 147.16 28.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.782 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -144.72 115.34 7.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.792 HD13 ' C ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -109.72 148.72 30.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.785 ' H ' HD22 ' A' ' 61' ' ' LEU . 85.7 t -144.41 104.38 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.51 163.52 12.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.495 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.5 t-20 40.07 91.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.752 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -119.83 -120.53 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -93.77 78.2 4.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.49 18.47 67.79 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.505 1.128 . . . . 0.0 111.024 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.478 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.99 -170.61 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 0.737 . . . . 0.0 109.3 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.508 ' HB3' HG23 ' A' ' 17' ' ' THR . 70.9 m -131.48 150.53 52.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.566 ' CD1' HD23 ' A' ' 65' ' ' LEU . 10.4 m-85 -128.22 148.21 50.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 18' ' ' VAL . 36.8 p -134.46 142.11 46.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.012 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.576 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -147.78 119.31 7.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.6 mt -135.32 144.62 33.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.841 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.57 121.81 55.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.463 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 5.2 m-80 -117.99 132.47 56.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.3 OUTLIER 79.07 91.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.72 HD12 ' N ' ' A' ' 57' ' ' SER . 40.7 mt -99.52 132.29 44.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 113' ' ' GLN . 5.4 tp -37.24 -45.33 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.52 ' HB2' ' CE2' ' A' ' 108' ' ' TRP . 7.8 mmtt -127.49 160.14 61.99 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.468 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.02 165.03 32.14 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.499 1.789 . . . . 0.0 110.928 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.3 pp -147.95 140.71 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.33 138.69 49.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 53.5 t -83.82 -68.22 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -49.87 -22.27 1.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -93.02 -29.44 10.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.555 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -61.41 163.25 6.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 0.775 . . . . 0.0 109.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.46 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.4 m -157.94 159.91 37.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.009 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.52 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.68 140.27 53.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 96' ' ' LEU . 4.6 mtmt -138.04 158.31 44.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.468 HG22 HG23 ' A' ' 95' ' ' VAL . 85.5 t -134.27 128.04 51.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.11 178.45 4.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 92.0 m -63.34 118.69 8.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.384 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.428 ' OD1' ' CE1' ' A' ' 42' ' ' HIS . 74.2 m-20 51.87 28.03 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.719 HG23 ' O ' ' A' ' 36' ' ' ILE . 25.0 m -154.74 145.04 22.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.782 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -113.76 130.43 67.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.818 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.1 mt -101.38 147.77 25.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.533 HD11 ' CD1' ' A' ' 60' ' ' LEU . 17.4 mm -137.0 90.4 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.477 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -76.82 120.72 22.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.236 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 36.1 m -120.37 109.75 15.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 108.306 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.0 mmp_? -58.02 148.26 26.73 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.335 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -98.91 136.23 39.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.4 tttt -75.73 -23.58 56.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.27 118.58 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.63 172.39 2.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 52.3 60.73 3.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.448 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.1 m -131.74 146.2 52.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.421 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -105.67 136.6 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.52 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -113.08 92.56 4.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 108.011 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.509 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 11.4 m-20 -61.99 -14.57 36.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.752 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.4 m-85 -161.57 139.72 9.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 111.047 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.614 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -50.74 -36.26 35.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 12.2 p -124.74 160.47 28.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.775 ' HA ' HD12 ' A' ' 78' ' ' LEU . 17.8 tt0 -74.92 -12.38 60.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 117' ' ' GLU . 83.5 t -72.0 -58.68 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.562 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -41.27 -29.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -69.96 -50.86 37.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 114' ' ' VAL . 2.5 pt-20 -71.89 -33.81 68.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 10.0 m -69.21 -54.16 16.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 108.287 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.529 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 0.1 OUTLIER -55.15 -58.14 8.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -75.83 87.7 2.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.35 100.08 10.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.4 m 56.04 105.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 179.29 98.63 0.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 66.36 6.05 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.506 1.792 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 48.4 -170.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 41.5 m -93.29 110.17 21.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 110.975 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 t -168.53 113.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 0.75 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.83 110.19 10.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.09 90.56 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.507 1.129 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.51 97.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.006 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.11 133.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.0 59.15 0.52 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.536 1.148 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -122.93 124.35 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 p -130.2 121.53 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -128.85 127.0 23.43 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 83.86 1.76 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.01 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.9 pt -106.33 109.11 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' GLY . 26.2 p -115.22 109.25 17.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.389 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p 38.93 29.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 13' ' ' THR . . . -127.7 108.42 0.95 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -168.92 152.74 5.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 0.76 . . . . 0.0 110.992 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.697 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -128.4 147.03 50.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.435 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 50.0 t -76.21 155.08 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.07 122.84 47.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.681 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.1 mt -84.68 92.47 3.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.557 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 63.1 m -79.02 -62.04 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.003 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.96 119.79 24.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.593 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 16.7 p90 -149.75 135.11 18.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.776 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -80.0 139.29 21.12 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.517 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 36.2 p-90 -145.9 157.45 43.9 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -158.6 173.53 16.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.439 ' HB2' HG22 ' A' ' 32' ' ' VAL . 15.9 pm0 -151.38 146.29 25.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.333 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -139.89 154.57 47.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.0 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.448 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.7 m-20 -63.57 79.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.6 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.8 mtmt 167.64 -56.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.6 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 42.0 m-85 -155.49 167.72 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 27' ' ' GLN . 46.2 t -119.45 142.68 33.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG3' ' CZ ' ' A' ' 35' ' ' TYR . 3.0 ptmt -146.5 156.56 43.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.776 HG23 ' O ' ' A' ' 24' ' ' GLY . 3.6 mp -127.25 142.64 42.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.583 ' CD1' HD21 ' A' ' 96' ' ' LEU . 2.6 m-85 -119.77 109.73 15.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.434 1.083 . . . . 0.0 111.018 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.882 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -109.7 148.9 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.93 114.02 26.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.388 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.75 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -146.33 101.87 3.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.2 m -75.23 120.7 21.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.457 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 110.66 -23.5 19.69 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.3 p -56.73 -25.9 22.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -84.65 -2.83 58.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.61 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -107.98 -36.17 6.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.5 m -66.74 154.05 92.5 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.02 168.9 23.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 t -74.46 -3.7 32.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -86.79 -29.21 22.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.36 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.433 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 59.1 m-20 -81.42 -15.61 54.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.92 112.79 42.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -118.92 116.38 26.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.237 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -132.91 135.6 56.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.432 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 75.9 t60 -124.7 137.67 54.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.597 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.47 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 29.8 m-85 -106.46 145.82 31.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.461 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 74.0 p -131.03 -164.06 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.4 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 4.3 pt-20 -77.54 -40.94 40.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 57' ' ' SER . 11.8 mmm-85 -142.32 67.11 1.32 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 2.4 p 159.44 162.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.967 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.885 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -158.35 127.64 5.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 111.034 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.685 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.6 p-10 -105.27 143.65 33.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.649 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.08 117.09 9.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.776 HD13 ' N ' ' A' ' 62' ' ' VAL . 0.9 OUTLIER -111.57 147.86 34.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.776 ' N ' HD13 ' A' ' 61' ' ' LEU . 71.3 t -142.33 115.31 3.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.596 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -111.25 162.77 14.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.659 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.5 t30 40.46 90.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.561 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -128.01 -132.64 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.306 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -70.01 70.5 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.07 21.38 61.43 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.533 1.145 . . . . 0.0 110.996 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 2.5 ptpt -163.59 -169.91 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 0.727 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.697 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.2 m -130.82 152.26 50.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.008 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.668 ' CG ' HD21 ' A' ' 38' ' ' LEU . 24.3 m-85 -131.48 148.72 52.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -134.86 142.1 46.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.681 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.3 ttt -149.38 122.09 8.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.569 HG12 ' CB ' ' A' ' 59' ' ' ASP . 8.9 mt -135.56 143.75 35.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.885 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.6 119.08 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.55 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 84.0 m-20 -119.84 131.08 55.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.8 m-20 85.66 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.612 HD21 ' CG2' ' A' ' 74' ' ' VAL . 97.1 mt -96.0 131.4 42.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.773 HD11 ' HD3' ' A' ' 116' ' ' LYS . 11.7 tp -38.07 -48.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 17.1 mmtt -124.84 159.25 59.5 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.449 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.4 Cg_endo -74.96 166.94 28.15 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.7 pp -149.0 138.46 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.5 143.64 57.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.015 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 46.0 t -87.32 -68.29 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -54.44 -19.3 5.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 110.345 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.54 -31.74 8.64 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.47 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 2.2 m -64.81 157.14 28.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 0.751 . . . . 0.0 110.008 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -150.09 161.73 41.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -122.56 131.87 54.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 96' ' ' LEU . 1.8 mtmt -125.95 163.16 23.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.41 HG22 HG23 ' A' ' 95' ' ' VAL . 40.7 t -134.88 123.9 42.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.81 176.88 4.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 65.8 m -53.8 119.14 4.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p30 44.21 34.99 1.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.882 HG23 ' O ' ' A' ' 36' ' ' ILE . 37.7 m -155.77 148.28 23.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.138 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.649 HG21 HD11 ' A' ' 60' ' ' LEU . 5.3 p -118.53 115.34 47.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 34' ' ' ILE . 0.4 OUTLIER -88.88 132.24 34.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.476 HD11 ' HG ' ' A' ' 60' ' ' LEU . 15.9 mm -117.4 90.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.98 120.57 18.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 58.6 m -119.91 111.98 18.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 108.24 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 3.3 mmp_? -58.43 148.35 28.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.405 ' NZ ' ' O ' ' A' ' 106' ' ' THR . 4.7 mttt -100.11 124.6 45.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -65.32 -27.44 68.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.3 OUTLIER -149.42 115.67 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -68.07 172.14 6.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.425 1.078 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 60.52 53.59 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.405 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.1 m -138.23 144.75 40.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -105.4 144.8 31.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.317 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.58 ' HA ' HD23 ' A' ' 78' ' ' LEU . 12.4 m0 -113.26 98.44 7.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.537 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 13.6 m-20 -64.97 -17.76 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.639 ' H ' HD22 ' A' ' 78' ' ' LEU . 37.7 m-85 -162.46 146.92 12.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.517 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -54.96 -44.97 74.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.528 HG22 HD23 ' A' ' 77' ' ' LEU . 12.7 p -130.03 157.03 43.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.421 ' HG2' HD12 ' A' ' 78' ' ' LEU . 38.7 mt-30 -60.52 -38.37 84.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 110.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.687 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.2 p -39.78 -63.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.687 ' H ' HG13 ' A' ' 114' ' ' VAL . 39.3 tt0 -48.5 -52.72 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.773 ' HD3' HD11 ' A' ' 78' ' ' LEU . 29.7 ttpt -49.09 -68.51 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' LYS . 19.1 mm-40 -38.31 -65.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.9 t -49.36 -61.9 1.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 108.317 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.17 -63.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -89.51 89.43 7.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.54 151.39 36.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.1 m -92.96 147.85 22.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.988 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 135.39 -117.47 1.71 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 70.45 5.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.506 1.793 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.0 p -163.24 139.76 7.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 92.8 p -99.96 122.48 42.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 110.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -128.88 159.96 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 109.982 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 p -174.42 165.16 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.18 154.51 6.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -164.27 169.03 18.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.69 160.65 8.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.018 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.3 116.95 0.82 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.499 1.124 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.0 t -131.94 141.44 45.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.59 156.72 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.33 141.83 28.48 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 150.87 39.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.476 1.777 . . . . 0.0 110.99 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.6 pt -70.76 160.76 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 14' ' ' THR . 19.9 p -95.69 134.84 38.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.468 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.5 OUTLIER -33.5 -41.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 110.391 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.54 -125.33 3.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -177.28 156.7 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 110.95 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.656 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -115.96 147.44 41.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.367 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 39.3 t -76.29 153.85 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -105.9 116.35 31.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.942 HD12 ' HB2' ' A' ' 72' ' ' MET . 17.7 mt -74.78 93.37 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.82 -44.4 16.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.992 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.1 119.55 38.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.628 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 24.5 p90 -149.64 131.99 15.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.15 134.36 12.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.586 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 45.6 p-90 -138.1 151.2 47.57 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.598 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -148.06 144.26 27.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.586 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.3 pm0 -127.12 144.88 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 30' ' ' LYS . 41.0 m -140.25 151.04 44.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.05 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -62.05 80.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.605 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.1 OUTLIER 168.51 -55.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 41.8 m-85 -154.82 168.62 26.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.8 t -116.15 138.03 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.69 ' HD2' HD22 ' A' ' 96' ' ' LEU . 12.5 ttpt -141.79 149.1 39.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.699 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -123.3 149.16 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.62 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.5 OUTLIER -131.78 105.05 7.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 94' ' ' THR . 2.9 mp -104.3 149.72 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -95.11 102.25 14.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.369 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.69 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -135.01 101.88 5.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.4 HG22 ' ND2' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -76.16 118.39 18.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.44 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 113.58 -23.81 13.01 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.3 p -56.1 -26.07 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 -85.28 3.26 40.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.113 . . . . 0.0 109.631 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -114.77 -33.84 5.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.541 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.3 m -65.61 155.41 85.87 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.442 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.04 169.5 22.48 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.0 t -75.32 -7.28 53.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -84.13 -28.96 27.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.291 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.442 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 52.0 m-20 -79.9 -26.03 40.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 t -99.35 112.42 31.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -124.03 111.44 15.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -126.17 138.43 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.416 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.9 t-160 -124.61 135.59 53.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.626 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.548 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 24.2 m-85 -105.98 137.13 44.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 57' ' ' SER . 14.2 p -121.71 -166.34 1.37 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.396 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -78.87 -36.77 41.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 55' ' ' GLU . 12.9 mmm-85 -143.76 55.11 1.32 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 110.35 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.72 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 174.44 172.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.809 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.89 127.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.732 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.7 p-10 -109.29 148.66 30.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.76 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.22 114.64 8.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.57 148.19 25.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG1' HD22 ' A' ' 65' ' ' LEU . 97.7 t -146.83 101.63 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.0 OUTLIER -104.03 160.26 14.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.541 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.2 t30 43.34 92.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.533 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -127.33 -131.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.4 ' ND2' HG22 ' A' ' 39' ' ' THR . 1.2 t-20 -75.09 72.13 2.19 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.12 20.44 64.9 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.549 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.76 -169.95 1.86 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 0.774 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.656 ' HB2' HG23 ' A' ' 17' ' ' THR . 17.2 p -134.36 151.6 51.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.047 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.575 ' CG ' HD21 ' A' ' 38' ' ' LEU . 19.3 m-85 -130.51 151.09 51.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 13.2 p -133.16 138.48 46.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.942 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -144.86 118.87 9.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mt -137.52 143.48 33.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.809 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.14 122.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.457 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 60.0 m-80 -119.0 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.7 OUTLIER 78.61 85.51 0.07 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.297 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.783 HD21 ' CG2' ' A' ' 74' ' ' VAL . 37.4 mt -94.76 132.07 39.93 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' A' ' 113' ' ' GLN . 5.0 tp -38.53 -47.56 1.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 10.5 mmtp -127.92 159.81 64.59 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.1 Cg_endo -75.02 166.02 30.05 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.539 1.81 . . . . 0.0 110.983 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.692 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -144.32 138.06 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -72.06 117.99 14.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.468 HG22 ' C ' ' A' ' 53' ' ' PHE . 41.4 t -67.11 -60.27 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -48.82 -22.25 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -99.6 -25.56 9.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.538 1.149 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.548 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 73.3 m -59.58 154.89 16.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 0.749 . . . . 0.0 109.956 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.3 m -155.63 157.63 37.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.944 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.638 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -118.82 143.41 46.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' N ' ' HG2' ' A' ' 88' ' ' LYS . 4.8 mtmt -138.8 161.09 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.2 t -135.02 131.13 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HE3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -116.63 172.2 7.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.1 m -51.54 118.55 3.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.432 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.7 p30 44.97 37.56 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ILE . 38.5 m -158.79 142.59 15.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.76 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -111.29 126.23 68.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 34' ' ' ILE . 3.4 mt -98.41 145.95 26.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 60' ' ' LEU . 17.0 mm -135.41 91.38 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.538 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.4 mt -76.63 118.56 19.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.442 ' HB3' HG21 ' A' ' 81' ' ' ILE . 8.7 m -119.6 106.92 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.692 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.9 mmp_? -57.71 148.39 24.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.262 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -97.41 144.12 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -83.56 -25.91 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -150.23 117.55 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -61.48 178.23 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 45.44 61.67 2.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.5 HG21 ' HD2' ' A' ' 79' ' ' LYS . 2.5 m -144.2 100.48 3.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.52 148.35 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 8.9 m0 -115.39 95.81 5.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -57.75 -28.49 63.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.622 ' H ' HD22 ' A' ' 78' ' ' LEU . 74.8 m-85 -150.18 138.24 20.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.577 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -48.89 -32.04 8.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.499 ' HB ' HG12 ' A' ' 114' ' ' VAL . 7.4 p -127.22 154.17 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.799 ' HA ' HD12 ' A' ' 78' ' ' LEU . 22.9 tt0 -67.34 -39.11 85.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.671 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.5 p -42.83 -61.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.671 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.3 OUTLIER -38.36 -57.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.544 ' HA ' ' CE2' ' A' ' 110' ' ' TYR . 3.8 ttpt -40.52 -75.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 116' ' ' LYS . 36.6 mm-40 -37.55 -67.3 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 31.9 t -43.05 -61.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 108.332 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 2.6 mmpt? -47.32 -63.72 0.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -49.48 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.93 163.66 34.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.163 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.4 m 61.13 104.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.58 142.72 3.79 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -77.05 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 42.5 t -165.25 102.01 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.042 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.7 m -83.35 121.94 27.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m 62.53 165.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.787 . . . . 0.0 109.984 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -91.9 147.51 22.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.037 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.54 128.07 3.13 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -137.5 151.81 48.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 0.759 . . . . 0.0 110.031 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 p -166.76 158.94 13.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.71 157.85 29.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.135 . . . . 0.0 111.007 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.6 t -93.62 116.39 34.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -86.73 143.35 11.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.2 108.52 15.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.1 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.4 4.02 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 pt -64.91 142.87 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 14' ' ' THR . 28.8 p -114.07 134.45 54.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.443 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.2 OUTLIER -34.58 137.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.377 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 130.32 118.78 2.06 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.974 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.533 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -175.52 -179.83 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.991 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.516 HG22 ' HB3' ' A' ' 69' ' ' SER . 0.0 OUTLIER -133.66 146.46 50.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.398 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 t -77.23 150.67 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 112.27 24.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.628 HD12 ' HB2' ' A' ' 72' ' ' MET . 23.4 mt -78.36 72.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.47 -43.69 84.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -95.57 119.55 34.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.603 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 38.3 p90 -150.04 138.54 20.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -88.39 131.09 10.46 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.646 ' CE3' HD23 ' A' ' 111' ' ' LEU . 36.4 p-90 -133.53 147.62 51.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.608 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -160.61 133.89 6.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.485 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -147.23 163.91 34.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.317 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.83 172.13 13.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.97 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.66 84.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.427 1.079 . . . . 0.0 109.27 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 171.27 -64.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 54.3 m-85 -146.96 170.28 17.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.996 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.485 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 47.5 t -119.02 137.28 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.167 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.546 ' CG ' HD22 ' A' ' 96' ' ' LEU . 10.8 ttpt -146.36 146.24 30.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.644 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.9 mp -120.99 149.53 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.803 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -131.7 104.08 6.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.9 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -101.92 149.84 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.0 m -95.22 104.93 16.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.435 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.721 HD21 ' CG ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -137.11 100.99 4.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.22 122.08 22.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.413 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 109.44 -23.34 22.76 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.467 1.105 . . . . 0.0 110.968 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -55.98 -25.25 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 0.784 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -87.51 5.13 40.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.61 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -113.32 -30.17 7.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.235 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.78 HG11 ' O ' ' A' ' 64' ' ' ASN . 34.2 m -72.91 156.37 89.82 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -74.95 169.95 21.48 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.6 t -77.24 -3.5 40.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.382 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -89.04 -19.53 25.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.411 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 44.2 m-20 -89.65 -17.64 28.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG11 ' CE ' ' A' ' 88' ' ' LYS . 47.1 t -103.25 110.36 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -117.43 114.27 23.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.238 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.6 OUTLIER -133.42 133.58 57.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 66.1 t60 -123.97 131.45 53.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' C ' HG22 ' A' ' 83' ' ' VAL . 68.1 m-85 -101.46 148.66 24.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.6 p -131.55 -164.53 1.46 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 1.8 pt-20 -78.86 -37.23 40.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.351 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.445 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 15.5 mmm-85 -143.75 61.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.463 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.5 p 164.31 166.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.989 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.821 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -163.15 127.75 3.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.742 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.0 p-10 -106.0 144.54 32.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.756 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -142.92 117.59 9.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.803 HD13 ' C ' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -112.99 149.26 33.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.269 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.794 ' H ' HD22 ' A' ' 61' ' ' LEU . 93.1 t -142.19 104.99 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.522 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -98.24 153.38 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.78 ' O ' HG11 ' A' ' 44' ' ' VAL . 2.3 t-20 49.83 101.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.555 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -139.66 -131.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.6 69.33 0.41 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.31 18.79 63.47 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.507 1.13 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 1.7 ptpt -165.78 -172.03 2.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.516 ' HB3' HG22 ' A' ' 17' ' ' THR . 17.1 m -125.63 156.85 38.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.989 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.721 ' CG ' HD21 ' A' ' 38' ' ' LEU . 32.7 m-85 -135.85 129.28 32.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 110.984 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 79.8 p -114.01 143.48 44.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.084 . . . . 0.0 109.978 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.628 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.1 ttm -151.66 118.59 5.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.97 146.58 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.821 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.1 122.53 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 30.2 m-20 -118.35 128.13 54.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.1 m-20 82.61 90.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.781 HD21 HG21 ' A' ' 74' ' ' VAL . 69.1 mt -99.28 134.98 41.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.887 HD11 ' HD3' ' A' ' 116' ' ' LYS . 6.3 tp -37.79 -46.63 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.475 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 26.9 mmtt -129.64 161.66 57.86 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -75.03 165.64 30.85 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.716 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.1 pp -142.93 141.36 26.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.517 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.6 OUTLIER -76.93 112.89 14.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.956 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 86' ' ' SER . 13.3 t -58.68 -66.17 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.75 -44.14 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -77.15 -33.3 45.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.517 ' N ' ' O ' ' A' ' 82' ' ' SER . 73.7 m -52.03 155.53 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 110.04 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 2.0 m -159.62 159.87 33.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.2 OUTLIER -121.0 144.46 48.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.7 mtmt -138.45 162.93 33.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.9 t -134.9 132.17 53.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -117.1 175.01 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.407 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 95.9 m -52.25 117.27 2.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.422 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.0 p30 44.87 37.75 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 36' ' ' ILE . 45.0 m -157.34 144.73 18.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.383 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.756 HG21 HD11 ' A' ' 60' ' ' LEU . 7.6 p -112.82 124.35 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.803 HD21 ' CD2' ' A' ' 35' ' ' TYR . 3.7 mt -95.85 144.41 26.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.509 HD11 ' CD1' ' A' ' 60' ' ' LEU . 21.1 mm -133.23 91.15 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.48 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.5 mt -78.02 119.32 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.517 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.1 m -119.65 105.04 10.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 108.277 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.716 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.9 mmp_? -56.71 147.67 22.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -94.36 148.35 22.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -87.7 -26.14 23.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -152.3 116.1 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -66.94 169.49 8.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.47 35.76 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 2.6 m -128.95 96.6 4.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -63.55 154.5 32.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 110.246 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.522 ' HA ' HD23 ' A' ' 78' ' ' LEU . 13.6 m0 -117.44 99.92 7.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 108.003 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -60.45 -28.26 68.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.142 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.616 ' H ' HD22 ' A' ' 78' ' ' LEU . 80.7 m-85 -141.97 164.29 30.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.646 HD23 ' CE3' ' A' ' 25' ' ' TRP . 0.7 OUTLIER -71.48 -31.16 66.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.579 HG23 HD13 ' A' ' 111' ' ' LEU . 18.5 p -135.45 149.1 49.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.401 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.709 ' HA ' HD12 ' A' ' 78' ' ' LEU . 24.1 tt0 -57.38 -38.42 74.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.62 HG13 ' H ' ' A' ' 115' ' ' GLU . 3.2 p -46.87 -59.84 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.62 ' H ' HG13 ' A' ' 114' ' ' VAL . 4.1 tt0 -39.28 -35.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.887 ' HD3' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -73.09 -53.93 9.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -64.36 -15.41 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.446 ' N ' ' O ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -95.83 -51.65 4.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 0.0 108.269 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -57.31 -41.66 80.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 2.6 mm-40 -120.73 -173.0 2.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 120' ' ' GLU . 0.4 OUTLIER 85.53 -62.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.239 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.3 t -125.95 80.35 1.9 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 168.94 -167.46 40.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 171.09 18.99 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.43 1.753 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.9 t -107.18 106.84 17.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.31 97.88 9.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.163 . . . . 0.0 110.013 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.455 1.097 . . . . 0.0 110.998 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -161.44 170.03 20.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 0.793 . . . . 0.0 110.028 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.41 155.69 46.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.12 -178.74 18.51 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.584 1.178 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.02 134.89 3.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 0.765 . . . . 0.0 109.972 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 p -161.28 175.74 11.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.063 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.32 112.06 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.7 p -131.92 132.81 61.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.8 p -133.74 145.31 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.99 122.38 24.34 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 159.14 41.87 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -66.46 157.79 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.467 ' O ' ' C ' ' A' ' 14' ' ' THR . 32.2 p -116.31 131.3 56.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.433 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.467 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -33.42 142.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.402 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.93 -116.87 0.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -176.94 -178.24 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 0.776 . . . . 0.0 110.984 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.681 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -92.87 147.13 23.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.123 . . . . 0.0 110.376 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' SER . 38.5 t -78.0 150.87 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.04 114.85 29.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.669 HD12 ' HB2' ' A' ' 72' ' ' MET . 22.2 mt -74.69 95.54 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.338 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -83.15 -50.5 8.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.037 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -92.97 120.29 33.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.575 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 26.3 p90 -149.04 134.39 18.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -86.31 134.11 12.3 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.507 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 23.6 p-90 -137.21 152.25 49.65 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.612 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -166.58 134.03 2.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.6 ' CB ' HG22 ' A' ' 32' ' ' VAL . 3.0 pp0? -137.96 165.06 27.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.296 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.6 170.49 15.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -63.37 82.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.453 1.095 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.5 OUTLIER 171.05 -61.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' NE ' ' A' ' 100' ' ' ARG . 50.7 m-85 -148.7 170.19 18.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.6 HG22 ' CB ' ' A' ' 27' ' ' GLN . 25.1 t -117.11 138.76 46.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.744 ' HD2' HD22 ' A' ' 96' ' ' LEU . 10.3 ttpt -145.72 148.34 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.687 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -124.8 154.46 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.639 ' CD1' ' N ' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -136.16 107.9 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -107.59 148.52 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -92.64 113.14 25.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.16 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.769 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -145.5 99.57 3.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 66' ' ' ASN . 0.9 OUTLIER -75.44 111.91 11.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.437 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 121.07 -24.61 7.35 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.769 HG12 ' O ' ' A' ' 38' ' ' LEU . 10.7 p -56.33 -24.28 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -87.94 3.74 47.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 109.585 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -113.96 -21.45 10.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.637 HG11 ' O ' ' A' ' 64' ' ' ASN . 24.0 m -82.74 153.32 67.48 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 170.07 21.2 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.1 t -74.24 -3.7 31.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -84.39 -24.6 29.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 53.6 m-20 -90.4 -13.45 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 16.9 t -106.45 102.1 13.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -114.22 111.45 21.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.84 133.25 65.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.415 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 11.4 t-160 -122.65 127.97 50.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.469 ' C ' HG22 ' A' ' 83' ' ' VAL . 66.8 m-85 -94.1 153.6 18.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 83' ' ' VAL . 25.5 p -134.19 -167.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.145 . . . . 0.0 110.379 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -80.3 -35.58 35.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.49 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -143.4 58.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.635 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.2 p 166.0 178.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.963 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.817 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.45 128.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.622 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 p-10 -106.41 142.37 36.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.658 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -139.83 115.6 10.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.839 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.7 OUTLIER -108.12 150.7 26.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.839 ' H ' HD22 ' A' ' 61' ' ' LEU . 69.4 t -143.99 116.59 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.532 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.85 164.26 13.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.637 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER 40.53 91.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.591 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -127.95 -128.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 39' ' ' THR . 0.3 OUTLIER -79.06 73.27 5.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.43 19.15 66.36 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -168.36 -173.82 2.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.754 . . . . 0.0 109.321 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.681 ' CB ' HG23 ' A' ' 17' ' ' THR . 48.9 m -125.76 159.18 33.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.741 ' CD2' HD21 ' A' ' 38' ' ' LEU . 25.1 m-85 -134.79 147.37 49.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 18' ' ' VAL . 50.8 p -132.24 142.33 49.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 110.061 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.669 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.0 OUTLIER -150.83 119.03 6.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.027 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.3 mt -135.18 144.85 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.102 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.817 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.92 123.16 60.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 25.7 m120 -120.19 130.73 54.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.3 m-20 83.29 90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.652 HD21 HG21 ' A' ' 74' ' ' VAL . 58.0 mt -102.28 134.69 45.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.778 HD11 ' HD3' ' A' ' 116' ' ' LYS . 9.3 tp -39.1 -46.21 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 18.7 mmtt -129.35 160.1 65.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.49 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.99 166.66 28.75 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.528 1.804 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.0 OUTLIER -141.92 141.7 28.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 86' ' ' SER . 0.4 OUTLIER -78.82 103.23 8.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.026 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 54' ' ' THR . 22.2 t -51.4 -61.82 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.253 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 83' ' ' VAL . 44.0 mt-10 -38.8 -51.48 1.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -30.58 61.1 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 82' ' ' SER . 21.6 m -51.31 153.38 2.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 0.78 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -157.2 161.05 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.092 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.616 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -122.15 142.73 50.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.4 mtmt -137.03 161.95 34.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 83.2 t -134.9 130.39 52.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 2.4 ptpt -113.45 -178.15 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.41 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 89.4 m -60.92 118.82 7.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 92' ' ' THR . 3.9 p30 46.11 30.54 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 36' ' ' ILE . 19.9 m -152.53 143.92 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.658 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -111.31 131.45 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.744 HD22 ' HD2' ' A' ' 33' ' ' LYS . 3.7 mt -102.98 143.73 32.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.559 HD11 ' CD1' ' A' ' 60' ' ' LEU . 19.5 mm -133.04 90.46 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.52 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 5.3 mt -76.09 119.34 19.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.589 ' HB3' HG21 ' A' ' 81' ' ' ILE . 2.3 m -119.71 103.17 9.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.697 ' O ' HG22 ' A' ' 81' ' ' ILE . 1.6 mmp_? -56.83 147.95 21.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -92.29 153.96 18.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -91.25 -25.05 19.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.63 117.93 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -61.65 173.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 110.291 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 55.57 50.91 13.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.425 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.0 m -139.12 102.12 4.44 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -71.16 152.25 43.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.6 m0 -116.75 99.22 6.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 107.991 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.528 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 28.6 m-20 -66.96 -13.45 61.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.635 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -162.05 154.08 19.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.507 ' HB2' ' CE2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -66.75 -35.53 80.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 19.4 p -137.67 152.67 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.392 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 114' ' ' VAL . 73.0 mt-30 -58.1 -40.02 80.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.658 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.4 p -40.01 -61.6 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.658 ' H ' HG13 ' A' ' 114' ' ' VAL . 15.3 tt0 -49.23 -53.67 20.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.778 ' HD3' HD11 ' A' ' 78' ' ' LEU . 33.0 ttpt -50.76 -67.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -45.04 -49.61 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.313 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 15.5 m -53.78 -68.1 0.2 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.301 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.459 ' CD ' ' HG2' ' A' ' 115' ' ' GLU . 0.0 OUTLIER -42.33 -47.56 4.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -87.03 -169.36 2.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.47 -177.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.73 123.93 8.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.976 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -179.72 148.99 8.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -46.92 0.22 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.28 144.68 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.992 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.3 p -59.23 130.63 47.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -168.71 170.92 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 0.756 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.43 -60.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.951 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.98 -120.29 12.07 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.948 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 68.83 130.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 110.016 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.49 165.23 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 109.993 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.04 120.36 0.53 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.94 151.55 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 0.781 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.2 p -129.46 138.45 54.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.6 154.73 80.92 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.432 ' O ' HG23 ' A' ' 13' ' ' THR . 18.4 Cg_endo -74.94 175.54 11.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.508 1.794 . . . . 0.0 111.018 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 pp -64.89 103.22 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 11' ' ' PRO . 52.1 p -125.55 108.95 12.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.4 p 47.02 -156.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.454 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 137.21 -156.67 23.51 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.446 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 5.7 p90 -65.9 177.25 1.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.987 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.593 HG23 ' HB2' ' A' ' 69' ' ' SER . 0.2 OUTLIER -97.95 147.32 24.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.8 t -76.31 151.25 6.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 tttt -103.12 117.09 33.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.536 HD12 ' HB2' ' A' ' 72' ' ' MET . 12.8 mt -78.49 96.51 2.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.2 p -86.9 -40.85 14.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -100.32 119.7 38.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 27.5 p90 -148.57 139.83 23.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.23 127.42 8.93 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 22.5 p-90 -129.24 145.82 51.27 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.599 ' OD2' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -159.07 133.72 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.463 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.4 pp0? -142.16 165.32 27.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -138.88 139.39 38.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.546 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -37.6 92.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER 159.82 -50.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -150.76 170.52 19.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.045 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG23 ' HG3' ' A' ' 101' ' ' LYS . 39.7 t -123.51 135.71 62.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.238 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 7.9 ttpt -147.16 150.41 34.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.66 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.4 mp -127.94 151.23 34.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.735 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.6 OUTLIER -132.01 104.27 6.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.816 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -101.04 147.18 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.1 m -92.8 105.6 17.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.709 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.65 100.76 4.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.416 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -76.36 119.24 19.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.431 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 111.75 -22.94 18.34 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.507 1.13 . . . . 0.0 111.027 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.8 p -57.0 -18.71 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 0.746 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -89.33 1.86 55.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.604 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.21 -20.39 10.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.532 HG11 ' O ' ' A' ' 64' ' ' ASN . 22.6 m -80.41 154.43 74.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.423 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -75.05 177.07 9.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.5 t -81.3 -7.27 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.378 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -84.24 -21.49 31.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.423 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 60.4 m-20 -88.83 -17.74 29.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG11 ' CE ' ' A' ' 88' ' ' LYS . 28.4 t -107.77 108.08 24.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -120.07 110.93 17.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.341 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -127.14 135.34 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.427 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 2.0 t-160 -123.88 131.09 53.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.564 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.547 ' CD2' ' HB3' ' A' ' 86' ' ' SER . 56.3 m-85 -101.08 144.3 30.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 57' ' ' SER . 1.2 p -126.95 -166.45 1.6 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 3.0 pt-20 -74.69 -41.46 60.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.471 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 2.8 mmm180 -141.17 51.45 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.244 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.75 ' N ' HD12 ' A' ' 77' ' ' LEU . 25.1 m 179.67 172.37 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.824 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.47 127.53 0.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.67 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.3 p-10 -107.18 151.43 25.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.665 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -147.0 116.51 7.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.872 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -107.48 151.08 26.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.872 ' H ' HD22 ' A' ' 61' ' ' LEU . 90.6 t -146.84 112.99 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -111.86 166.03 11.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.532 ' O ' HG11 ' A' ' 44' ' ' VAL . 0.7 OUTLIER 39.98 90.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.536 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.64 -134.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.415 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.2 t-20 -71.66 70.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.8 21.89 67.81 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.533 1.146 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.516 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -168.28 -178.56 3.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.593 ' HB2' HG23 ' A' ' 17' ' ' THR . 15.3 p -125.04 151.68 45.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.516 ' CZ ' ' HD3' ' A' ' 68' ' ' LYS . 29.4 m-85 -129.94 148.51 51.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.6 p -134.37 140.3 46.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.542 ' HE1' ' CG ' ' A' ' 23' ' ' TYR . 1.8 ttm -147.09 125.5 12.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 59' ' ' ASP . 6.2 mt -138.29 142.25 35.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.824 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -127.81 123.53 61.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.518 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.0 m-80 -127.12 138.11 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.518 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.5 m-20 84.44 65.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.75 HD12 ' N ' ' A' ' 57' ' ' SER . 33.2 mt -79.86 134.19 36.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.54 HD22 ' H ' ' A' ' 110' ' ' TYR . 13.9 tp -42.8 -48.64 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 6.3 mmtt -124.2 159.81 55.31 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.471 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -75.06 160.68 39.69 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.731 HD13 ' SG ' ' A' ' 99' ' ' CYS . 1.7 pp -142.64 142.07 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 133.14 44.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.484 HG22 ' C ' ' A' ' 53' ' ' PHE . 42.7 t -77.28 -68.38 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -48.12 -27.94 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -87.57 -31.32 16.26 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.471 1.107 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.547 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . 3.0 m -59.35 157.81 10.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.955 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 98' ' ' LEU . 1.2 m -157.01 157.54 34.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.008 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.577 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -122.45 144.63 48.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.4 mtmm -136.14 165.13 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 t -134.83 130.75 52.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -113.24 -173.81 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.7 m -65.93 109.76 2.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.416 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 98.7 m-20 55.46 32.77 19.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 36' ' ' ILE . 20.0 m -154.63 144.97 22.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.665 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -113.92 122.93 69.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.735 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.0 mt -93.57 145.86 24.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.472 HD11 ' CD1' ' A' ' 60' ' ' LEU . 13.5 mm -134.58 91.51 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 4.6 mt -78.31 121.65 24.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.731 ' SG ' HD13 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -120.69 113.9 20.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 108.329 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.694 ' O ' HG22 ' A' ' 81' ' ' ILE . 2.2 mmp_? -58.87 149.01 28.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.502 ' HG3' HG23 ' A' ' 32' ' ' VAL . 4.6 mttt -100.45 106.54 18.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.8 tttp -42.53 -29.78 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 103' ' ' VAL . 0.4 OUTLIER -151.3 114.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -63.42 176.07 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 57.8 49.94 11.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.42 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 1.3 m -140.56 106.62 5.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.386 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.16 144.9 51.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.564 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 9.2 m0 -111.1 99.14 8.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.0 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.47 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 27.5 m-20 -68.51 -15.96 63.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.54 ' H ' HD22 ' A' ' 78' ' ' LEU . 65.3 m-85 -160.08 152.03 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.043 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -64.65 -46.77 81.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 14.1 p -129.23 154.15 47.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -54.83 -38.62 67.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.654 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.6 p -42.82 -61.19 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.654 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.3 OUTLIER -44.8 -59.7 2.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.503 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 59.7 tttp -41.31 -71.41 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -38.99 -65.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.24 -64.82 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt -41.22 -63.07 0.74 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 109.326 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -48.18 -64.11 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.44 144.96 0.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.52 145.09 56.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.013 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 171.8 -160.87 32.82 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 111.052 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 116.34 4.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.488 1.783 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.51 124.69 20.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.6 t -88.67 135.59 33.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 110.006 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 t -151.15 129.21 11.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.785 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.1 p -113.37 123.41 50.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.012 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.0 -64.6 0.3 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 76.59 103.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.956 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.67 117.14 22.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.54 69.09 3.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 8' ' ' VAL . 25.8 m -131.06 106.85 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.526 0.78 . . . . 0.0 109.324 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.57 146.19 33.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -126.8 100.54 27.83 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 128.07 11.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.475 1.776 . . . . 0.0 111.064 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.95 159.49 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.436 ' C ' ' CG2' ' A' ' 14' ' ' THR . 73.7 p -123.29 92.56 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.393 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.436 ' CG2' ' C ' ' A' ' 13' ' ' THR . 0.2 OUTLIER 38.1 89.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.391 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -139.58 108.85 0.61 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.567 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -168.85 171.35 8.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.413 0.713 . . . . 0.0 111.021 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.631 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -134.45 145.93 49.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.412 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.697 HG21 ' HE2' ' A' ' 68' ' ' LYS . 35.4 t -77.3 155.23 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mttt -105.49 110.56 22.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.694 HD12 ' HB2' ' A' ' 72' ' ' MET . 23.8 mt -69.12 101.31 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.67 -58.28 2.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -87.3 119.63 27.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' HE1' HD12 ' A' ' 111' ' ' LEU . 24.7 p90 -148.15 135.53 20.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.515 1.134 . . . . 0.0 110.942 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.93 133.33 11.81 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 110.994 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.596 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 41.0 p-90 -135.28 150.11 49.95 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -148.54 140.75 24.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.596 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.4 pm0 -122.79 147.47 46.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -137.01 147.65 46.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.032 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 4.2 m-20 -63.96 77.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.619 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.2 OUTLIER 164.83 -46.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.619 ' CD1' ' O ' ' A' ' 30' ' ' LYS . 46.8 m-85 -155.48 169.29 24.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.962 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.465 HG23 ' HE2' ' A' ' 101' ' ' LYS . 54.0 t -125.11 141.86 43.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.583 ' CG ' HD22 ' A' ' 96' ' ' LEU . 14.6 ttpt -146.33 149.9 34.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.648 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -122.3 144.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.774 ' CD2' HD21 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -128.68 104.53 7.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.981 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.857 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -101.54 143.16 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.2 m -88.88 104.82 17.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.445 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.791 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -138.12 102.57 4.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.41 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.2 m -78.16 118.89 20.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.462 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.53 -22.06 20.41 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.511 1.132 . . . . 0.0 110.962 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.791 HG12 ' O ' ' A' ' 38' ' ' LEU . 11.4 p -56.55 -20.07 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.442 0.731 . . . . 0.0 109.248 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.96 4.65 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -113.54 -15.62 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.572 HG22 ' O ' ' A' ' 41' ' ' VAL . 33.2 m -80.82 155.65 73.01 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.42 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.5 Cg_endo -74.94 169.75 21.92 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.491 1.785 . . . . 0.0 111.04 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.2 t -76.82 -3.79 40.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.393 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -88.43 -19.94 25.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.462 ' O ' ' CD1' ' A' ' 61' ' ' LEU . 76.7 m-20 -92.85 -22.33 19.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 t -98.42 91.63 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -110.78 112.53 24.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -130.77 134.46 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.117 . . . . 0.0 109.269 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.428 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -122.06 135.76 54.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.601 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.486 ' CZ ' ' C ' ' A' ' 87' ' ' SER . 33.8 m-85 -104.44 144.61 31.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 57' ' ' SER . 41.7 p -128.96 -163.88 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.376 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.7 pt-20 -80.19 -38.83 30.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.461 ' NH1' ' O ' ' A' ' 78' ' ' LEU . 6.6 mmm180 -142.32 61.2 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.289 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.45 ' N ' HD12 ' A' ' 77' ' ' LEU . 4.9 p 164.78 169.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.046 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.885 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -165.29 127.7 2.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.9 OUTLIER -103.96 147.96 26.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.835 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.45 115.59 7.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.9 HD21 ' HD3' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -108.98 148.65 30.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.132 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.812 ' H ' HD22 ' A' ' 61' ' ' LEU . 68.9 t -147.12 101.94 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.9 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -101.15 164.29 11.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.472 ' O ' ' CG1' ' A' ' 44' ' ' VAL . 1.0 OUTLIER 39.87 90.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.634 HD21 HD12 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -121.94 -114.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 66' ' ' ASN . 9.8 p30 -95.99 78.82 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.61 16.13 60.59 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.697 ' HE2' HG21 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -165.69 -169.67 1.61 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.631 ' HB3' HG23 ' A' ' 17' ' ' THR . 49.5 m -131.75 152.76 50.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.999 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.633 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.5 m-85 -130.16 144.29 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.946 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 78.3 p -133.14 142.86 48.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.694 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.2 ttt -148.83 120.41 8.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.545 HG12 ' CB ' ' A' ' 59' ' ' ASP . 12.3 mt -133.31 145.09 34.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.885 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -130.73 119.01 44.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 32.5 m120 -115.88 126.98 54.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.505 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 3.9 m-20 82.84 96.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.653 HD21 HG21 ' A' ' 74' ' ' VAL . 82.5 mt -103.3 133.97 47.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 110' ' ' TYR . 5.2 tp -37.15 -46.31 0.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.532 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 11.9 mmtt -127.52 160.89 58.12 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.3 Cg_endo -74.95 164.63 33.02 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.479 1.778 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 99' ' ' CYS . 1.3 pp -144.34 142.03 24.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.04 128.2 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.457 HG22 ' C ' ' A' ' 53' ' ' PHE . 38.9 t -71.88 -68.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -45.09 -26.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -91.29 -31.24 9.84 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 110.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 83' ' ' VAL . 5.7 m -59.32 169.92 1.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.486 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 1.5 m -168.37 158.71 9.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 109.97 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.491 ' C ' ' CD ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -120.09 141.62 49.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.5 mtmt -140.22 160.13 40.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 88.5 t -134.81 132.35 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.487 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -108.3 -176.56 3.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 90.1 m -68.81 110.1 4.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.412 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.41 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 66.9 m-20 59.74 32.39 21.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 36' ' ' ILE . 15.8 m -159.83 139.91 11.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.835 HG21 HD11 ' A' ' 60' ' ' LEU . 7.7 p -105.06 130.87 55.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.774 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.6 mt -101.57 149.15 24.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.585 HD13 ' O ' ' A' ' 96' ' ' LEU . 16.1 mm -138.61 90.51 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.29 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.453 ' CD2' ' HE2' ' A' ' 33' ' ' LYS . 4.7 mt -77.58 120.52 22.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.456 ' HB3' HG21 ' A' ' 81' ' ' ILE . 3.7 m -119.67 107.36 13.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.514 ' NE ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mmp_? -57.59 148.08 25.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.465 ' HE2' HG23 ' A' ' 32' ' ' VAL . 6.0 mttt -96.16 137.66 34.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.3 tttp -77.85 -25.79 48.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -149.83 118.15 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.423 ' OE2' ' HA ' ' A' ' 30' ' ' LYS . 1.6 mm-40 -60.52 -173.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 104' ' ' GLU . 93.8 m-20 39.63 60.08 1.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.445 ' O ' ' NZ ' ' A' ' 101' ' ' LYS . 1.3 m -137.36 137.29 38.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.73 143.08 32.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.532 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 12.4 m0 -113.64 93.97 4.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 107.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 110' ' ' TYR . 11.6 m-20 -58.89 -20.15 48.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.773 ' H ' HD22 ' A' ' 78' ' ' LEU . 90.6 m-85 -157.99 139.78 13.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.598 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -44.64 -46.21 10.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.432 HG22 HD23 ' A' ' 77' ' ' LEU . 40.0 p -117.22 166.01 12.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.722 ' HA ' HD12 ' A' ' 78' ' ' LEU . 23.2 tt0 -76.88 -16.73 59.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 115' ' ' GLU . 91.1 t -65.19 -61.89 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.574 ' HB3' ' CD1' ' A' ' 110' ' ' TYR . 0.4 OUTLIER -37.49 -49.07 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.02 -75.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -41.2 -65.28 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 1.101 . . . . 0.0 110.309 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 3.3 t -42.39 -65.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 108.299 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.512 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 10.9 mmmt -44.85 -62.67 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.79 86.07 6.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.52 -63.92 0.8 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 t -74.76 -64.27 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 78.34 170.84 37.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.098 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.56 41.69 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.476 1.777 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.05 109.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.029 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.5 t -98.09 141.15 31.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.537 1.148 . . . . 0.0 110.979 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.25 86.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 0.775 . . . . 0.0 109.964 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 177.76 169.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.004 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.03 163.31 33.71 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.35 161.8 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -156.79 169.13 25.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.985 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.59 139.52 6.05 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.16 151.84 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 t -82.97 153.54 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.76 102.67 48.97 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -177.8 3.72 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.495 1.787 . . . . 0.0 111.034 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 pt -67.57 107.77 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.9 p -125.42 111.6 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.384 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.8 p 48.47 -152.98 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 125.12 132.33 3.78 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -54.99 175.7 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.981 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.783 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -127.11 147.28 50.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 110.412 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.436 HG21 ' HE2' ' A' ' 68' ' ' LYS . 39.8 t -77.78 153.98 5.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.21 111.55 23.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.798 HD12 ' HB2' ' A' ' 72' ' ' MET . 28.0 mt -68.78 92.5 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.29 -60.12 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.16 119.84 26.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 31.0 p90 -149.4 130.55 14.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 111.004 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.469 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -81.95 134.4 13.03 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.548 1.155 . . . . 0.0 111.041 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.599 ' CZ3' ' OE1' ' A' ' 27' ' ' GLN . 44.2 p-90 -138.87 149.31 44.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD1' ' CE1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -145.86 146.35 31.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.599 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 20.1 pm0 -122.11 149.71 43.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 110.265 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -140.38 145.99 37.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 96.8 m-20 -65.08 76.3 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' CB ' ' O ' ' A' ' 29' ' ' ASP . 4.7 mtmt 165.78 -51.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.642 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 59.1 m-85 -155.73 143.97 20.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 111.014 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.84 145.35 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -147.21 145.87 29.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.26 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.628 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.5 mp -119.7 153.79 22.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.704 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -136.49 110.42 8.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.729 ' O ' HG23 ' A' ' 94' ' ' THR . 3.0 mp -109.0 150.89 11.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.435 1.085 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.9 m -94.98 106.28 18.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.407 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.627 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -138.93 104.71 5.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.98 119.46 22.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 111.9 -23.61 16.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.627 HG12 ' O ' ' A' ' 38' ' ' LEU . 9.8 p -56.24 -24.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.9 p-80 -86.14 3.28 43.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -113.75 -30.19 6.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.324 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.658 HG11 ' O ' ' A' ' 64' ' ' ASN . 31.6 m -72.88 153.72 91.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.425 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.3 Cg_endo -74.96 174.26 13.07 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.456 1.767 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -76.42 -6.43 51.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 110.452 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.5 pt-20 -80.83 -32.69 35.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.427 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 26.6 m-20 -81.5 -18.81 43.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 43.8 t -105.01 106.85 21.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -119.96 114.52 22.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -131.49 137.6 54.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 13.7 t-160 -126.57 133.36 51.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.594 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -101.33 144.42 30.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.548 ' CA ' HG22 ' A' ' 83' ' ' VAL . 65.1 p -126.98 -163.3 1.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 110.427 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.3 pt-20 -79.18 -40.58 30.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.488 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.78 52.63 1.5 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.676 ' N ' HD12 ' A' ' 77' ' ' LEU . 1.3 p 177.19 172.5 0.51 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.789 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.02 127.69 0.87 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.695 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.4 p-10 -105.45 149.0 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.62 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.77 116.83 7.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.834 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.4 OUTLIER -109.68 149.68 29.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.834 ' H ' HD22 ' A' ' 61' ' ' LEU . 69.7 t -146.83 103.13 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.799 ' HD3' HD21 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -102.19 167.07 10.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.658 ' O ' HG11 ' A' ' 44' ' ' VAL . 5.6 t-20 39.87 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.355 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.554 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -126.75 -129.2 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.364 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -76.47 72.47 3.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.27 21.2 63.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.494 1.121 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.22 -169.39 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 0.77 . . . . 0.0 109.262 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.783 ' HB3' HG23 ' A' ' 17' ' ' THR . 58.0 m -133.1 153.08 51.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.569 ' CG ' HD21 ' A' ' 38' ' ' LEU . 44.6 m-85 -133.05 149.83 52.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 110.977 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' VAL . 58.4 p -137.54 142.44 41.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.031 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.798 ' HB2' HD12 ' A' ' 20' ' ' ILE . 1.3 ttt -148.28 122.68 9.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.5 mt -138.32 144.67 29.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.789 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -127.71 123.93 62.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 7.1 m-80 -119.65 127.7 53.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.2 m-20 83.29 92.01 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.75 HD21 ' CG2' ' A' ' 74' ' ' VAL . 40.5 mt -101.11 134.05 44.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.4 tp -38.5 -49.8 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.49 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 16.9 mmtt -125.29 159.19 61.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.488 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.4 Cg_endo -75.01 169.62 22.21 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.457 HG22 ' HA ' ' A' ' 101' ' ' LYS . 1.6 pp -152.91 146.95 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.084 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.5 OUTLIER -70.55 131.5 44.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.548 HG22 ' CA ' ' A' ' 54' ' ' THR . 37.6 t -73.72 -69.8 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -59.69 -14.16 12.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.64 -16.14 46.97 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.405 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 2.0 m -83.67 165.35 19.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 0.801 . . . . 0.0 110.018 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -158.25 160.79 37.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.977 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.665 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -116.84 143.39 45.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 5.2 mtmt -134.85 161.26 35.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 66.7 t -134.98 135.78 52.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.47 ' CE ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.86 174.81 6.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.6 m -54.25 119.36 5.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.416 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 p30 44.95 34.75 1.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 36' ' ' ILE . 27.1 m -156.46 145.43 20.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -114.88 126.24 72.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.704 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -95.88 147.89 23.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.523 HD13 ' O ' ' A' ' 96' ' ' LEU . 17.0 mm -140.66 91.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.442 HD23 ' HB2' ' A' ' 33' ' ' LYS . 1.9 mt -77.01 132.32 38.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 83.8 m -118.25 106.65 13.02 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 108.292 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.642 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -58.36 104.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.304 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.684 ' HZ1' ' HE1' ' A' ' 108' ' ' TRP . 1.6 mttt -60.17 133.93 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 60.5 tttt -70.95 -36.79 72.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.82 121.26 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.86 173.64 4.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 61.44 49.57 5.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.563 HG22 ' HZ1' ' A' ' 101' ' ' LYS . 1.1 m -140.85 127.76 20.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.36 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -86.54 153.72 21.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.684 ' HE1' ' HZ1' ' A' ' 101' ' ' LYS . 9.4 m0 -122.32 90.96 3.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 107.997 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.52 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 2.2 m-20 -54.93 -21.38 11.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.675 ' H ' HD22 ' A' ' 78' ' ' LEU . 88.6 m-85 -162.11 155.59 20.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.995 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -60.46 -40.47 91.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.462 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 12.1 p -129.45 171.26 12.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.37 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.496 ' HG2' HD12 ' A' ' 78' ' ' LEU . 25.1 mt-30 -78.33 -19.48 53.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 118' ' ' CYS . 27.1 t -64.86 -61.85 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 119' ' ' LYS . 11.7 tt0 -43.46 -32.84 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 58.5 tttt -71.31 -49.92 37.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -71.06 -18.56 62.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' VAL . 0.1 OUTLIER -85.77 -65.77 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 108.333 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.3 OUTLIER -46.5 -62.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -130.58 -151.94 0.49 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.278 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.23 94.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.3 p -132.29 -57.29 0.96 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.034 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 155.88 155.68 7.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 61.21 5.62 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.469 1.773 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.3 t -72.1 75.93 0.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.009 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 25.8 m -85.21 110.19 18.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.034 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m 76.46 -68.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p 63.38 166.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.001 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.81 129.43 4.8 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.556 1.16 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.67 167.43 28.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 0.799 . . . . 0.0 109.992 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 m -137.45 154.3 49.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.975 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.51 132.71 1.48 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.4 t -130.75 115.0 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 t -84.36 140.28 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.39 99.93 17.06 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 161.44 38.61 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 pp -64.75 138.8 22.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.093 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -124.97 112.66 16.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.095 . . . . 0.0 110.416 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.9 p 49.33 -153.91 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.363 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.72 112.71 0.39 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -174.89 162.1 3.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.687 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -84.41 146.98 27.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.381 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.7 t -76.7 155.16 5.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -106.65 115.75 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.954 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.9 mt -74.37 95.26 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.0 m -79.69 -59.29 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -86.95 121.32 29.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.504 ' CD1' ' O ' ' A' ' 23' ' ' TYR . 34.9 p90 -148.75 130.05 14.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 111.051 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.03 128.21 8.35 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.595 ' CE3' HD23 ' A' ' 111' ' ' LEU . 49.9 p-90 -131.26 167.37 19.31 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -155.76 175.69 13.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.492 ' OE1' ' CZ3' ' A' ' 25' ' ' TRP . 18.3 pm0 -156.15 144.77 20.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -140.32 147.87 40.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 16.7 m-20 -63.35 77.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.541 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 2.4 mttt 165.19 -51.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.684 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 52.5 m-85 -156.06 157.32 35.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -112.1 148.38 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.54 ' CG ' HD22 ' A' ' 96' ' ' LEU . 13.5 ttpt -146.81 151.1 36.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.647 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.0 mp -124.28 149.0 28.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.741 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -132.59 110.02 10.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -109.04 150.38 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.1 m -94.08 108.71 20.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.442 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.72 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -142.0 102.46 4.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.275 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.96 117.18 18.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.418 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 114.76 -23.72 11.63 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.489 1.118 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.1 p -56.46 -23.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.6 p-80 -86.96 -0.7 57.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.64 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -109.84 -31.14 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' O ' ' A' ' 64' ' ' ASN . 25.8 m -71.93 154.07 92.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.21 13.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.521 1.801 . . . . 0.0 111.018 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.0 t -76.64 -7.56 55.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.358 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 48' ' ' ASN . 2.6 pt-20 -81.09 -32.56 33.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' N ' ' HG2' ' A' ' 47' ' ' GLU . 56.1 m-20 -80.67 -13.04 59.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 15.8 t -110.21 104.75 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -115.82 115.6 26.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -133.6 139.01 49.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.3 t-160 -127.64 132.88 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.62 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -101.81 144.22 30.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 57' ' ' SER . 28.7 p -126.83 -164.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.559 1.162 . . . . 0.0 110.443 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.1 pt-20 -80.08 -36.04 36.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.457 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 21.5 mmm-85 -144.43 57.65 1.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.741 ' N ' HD12 ' A' ' 77' ' ' LEU . 3.9 p 168.24 173.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.026 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.816 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -170.44 127.58 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.649 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.5 p-10 -104.31 147.71 27.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.584 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -145.81 116.76 7.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.822 HD22 ' H ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -109.81 150.08 28.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.822 ' H ' HD22 ' A' ' 61' ' ' LEU . 70.3 t -143.47 112.14 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.695 ' HE3' HD21 ' A' ' 61' ' ' LEU . 1.4 mttt -109.46 162.78 14.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.668 ' O ' HG11 ' A' ' 44' ' ' VAL . 19.0 t30 40.95 91.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.564 ' CD2' ' CD1' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -128.71 -129.48 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -74.45 72.07 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.58 20.18 61.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.089 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 70' ' ' TYR . 0.0 OUTLIER -164.46 -170.31 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 0.776 . . . . 0.0 109.311 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.687 ' HB3' HG23 ' A' ' 17' ' ' THR . 50.2 m -130.13 153.1 48.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.685 ' CD2' HD21 ' A' ' 38' ' ' LEU . 22.9 m-85 -131.88 147.65 52.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 18' ' ' VAL . 77.2 p -131.59 144.13 50.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.954 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -151.28 118.52 5.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.7 mt -135.6 142.91 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.816 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.61 119.28 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.467 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 57.9 m-20 -116.84 132.67 56.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.467 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 0.9 OUTLIER 79.58 90.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.258 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.741 HD12 ' N ' ' A' ' 57' ' ' SER . 43.5 mt -99.38 132.95 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 113' ' ' GLN . 6.2 tp -37.81 -47.07 0.99 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HD2' HG21 ' A' ' 106' ' ' THR . 19.4 mmtt -126.85 160.86 56.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.521 ' O ' HG23 ' A' ' 81' ' ' ILE . 18.2 Cg_endo -74.97 172.67 15.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 80' ' ' PRO . 1.3 pp -155.35 151.26 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.6 OUTLIER -79.42 127.54 32.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 37.4 t -70.02 -69.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -58.6 -15.36 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' HG2' ' A' ' 100' ' ' ARG . . . -93.83 -16.06 46.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.544 1.152 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.409 ' N ' ' HB2' ' A' ' 100' ' ' ARG . 4.5 m -83.2 167.55 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 0.755 . . . . 0.0 109.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -160.03 157.68 29.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.031 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.507 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.4 OUTLIER -116.5 144.29 44.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' LEU . 6.3 mtmt -137.76 162.65 33.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.6 t -134.57 136.79 52.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.477 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -121.88 172.26 8.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.308 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.404 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 60.2 m -50.83 118.02 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.424 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' CG ' ' O ' ' A' ' 92' ' ' THR . 2.3 p30 45.02 37.11 2.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.805 HG23 ' O ' ' A' ' 36' ' ' ILE . 49.6 m -157.55 145.06 18.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.584 HG21 HD11 ' A' ' 60' ' ' LEU . 7.4 p -114.05 125.3 71.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.741 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -96.25 146.95 24.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.554 HD13 ' O ' ' A' ' 96' ' ' LEU . 15.8 mm -139.91 90.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.475 HD23 ' HE2' ' A' ' 33' ' ' LYS . 2.0 mt -75.81 132.62 40.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 80.9 m -118.43 111.78 19.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.297 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.684 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -64.46 102.21 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HE3' ' NE1' ' A' ' 108' ' ' TRP . 1.0 OUTLIER -54.39 134.37 45.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.601 ' HE2' HG23 ' A' ' 103' ' ' VAL . 4.3 ttpt -76.29 -32.48 58.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.601 HG23 ' HE2' ' A' ' 102' ' ' LYS . 48.0 t -139.95 130.58 30.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -76.06 170.18 16.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 55.44 47.17 21.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.493 HG21 ' HD2' ' A' ' 79' ' ' LYS . 5.6 m -129.95 123.01 29.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.352 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.5 150.49 23.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.476 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.7 m0 -118.77 100.19 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.4 -19.81 64.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.678 ' H ' HD22 ' A' ' 78' ' ' LEU . 67.0 m-85 -150.16 149.83 30.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.039 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.595 HD23 ' CE3' ' A' ' 25' ' ' TRP . 0.5 OUTLIER -58.35 -37.6 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.431 ' HB ' ' O ' ' A' ' 76' ' ' ASN . 15.7 p -126.22 159.01 34.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.415 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.832 ' HA ' HD12 ' A' ' 78' ' ' LEU . 12.6 tt0 -67.54 -37.64 83.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.313 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.647 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.7 p -43.34 -60.87 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.647 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.2 OUTLIER -38.18 -42.99 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.493 ' HB2' HD11 ' A' ' 78' ' ' LEU . 6.0 tptt -62.45 -58.08 8.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.31 -13.03 47.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 110.352 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' VAL . 6.4 m -88.41 -57.95 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.28 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.6 -46.25 89.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -92.6 87.06 5.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.35 -175.27 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.3 t 51.88 78.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 144.41 97.74 0.24 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.48 1.112 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 77.39 3.15 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.494 1.787 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 m 64.33 77.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 53.4 p -109.45 138.73 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.496 1.123 . . . . 0.0 110.968 179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.76 150.07 38.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 0.791 . . . . 0.0 110.035 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 t -150.2 139.96 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.09 -129.41 0.13 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t 67.48 126.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.759 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.82 165.62 27.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.67 -152.46 7.17 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.438 1.087 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.4 p -130.26 145.12 36.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.12 152.98 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.72 140.7 34.89 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 109.06 2.86 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pp -64.81 159.02 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 14' ' ' THR . 71.6 p -123.15 132.43 54.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.085 . . . . 0.0 110.39 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.445 ' C ' ' O ' ' A' ' 13' ' ' THR . 0.1 OUTLIER -35.28 146.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.415 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 148.93 111.95 0.62 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -177.59 178.2 1.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 111.002 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.622 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -138.17 146.49 42.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.409 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.1 t -77.09 146.0 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.63 123.3 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.772 HD12 ' HB2' ' A' ' 72' ' ' MET . 29.0 mt -80.99 95.6 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 t -80.03 -61.28 2.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -85.41 120.14 26.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.666 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 36.5 p90 -148.46 131.7 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 111.022 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.509 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.11 135.39 14.18 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 110.976 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 111' ' ' LEU . 44.6 p-90 -138.6 139.84 38.75 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.59 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -136.83 142.27 42.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.521 ' HB2' HG22 ' A' ' 32' ' ' VAL . 10.0 pm0 -121.4 150.08 42.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -139.59 146.87 40.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.027 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 30' ' ' LYS . 2.0 m-20 -65.19 74.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.48 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 7.5 mtpt 166.09 -48.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.63 ' CD1' ' HD3' ' A' ' 100' ' ' ARG . 57.1 m-85 -156.46 148.53 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.521 HG22 ' HB2' ' A' ' 27' ' ' GLN . 35.1 t -105.81 145.94 13.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' CG ' HD22 ' A' ' 96' ' ' LEU . 14.5 ttpt -147.18 147.34 30.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.63 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -119.76 147.5 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.724 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.8 OUTLIER -130.22 107.8 9.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.813 ' O ' HG23 ' A' ' 94' ' ' THR . 2.6 mp -105.98 146.42 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -90.05 106.64 18.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.411 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.716 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -139.34 101.26 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.409 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -77.8 115.28 17.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 116.56 -23.12 10.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 38' ' ' LEU . 7.4 p -57.27 -20.19 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.504 0.767 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.6 p-80 -89.82 3.39 53.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.58 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -114.64 -17.0 11.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.63 HG11 ' O ' ' A' ' 64' ' ' ASN . 23.5 m -87.31 152.33 52.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.419 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.08 169.82 21.74 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.2 t -73.81 -3.54 29.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 110.397 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 48' ' ' ASN . 1.8 pt-20 -85.17 -24.35 27.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 84.0 m-20 -89.13 -16.56 31.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' CE ' ' A' ' 88' ' ' LYS . 13.4 t -105.2 101.17 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -110.53 110.08 20.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.2 OUTLIER -129.22 139.33 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 15.8 t-160 -130.04 130.57 45.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.1 . . . . 0.0 109.653 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -98.27 145.72 26.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.486 ' CA ' HG22 ' A' ' 83' ' ' VAL . 22.9 p -128.07 -170.3 2.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.388 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -76.3 -34.71 59.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.494 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.1 OUTLIER -144.77 59.36 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.507 ' N ' HD12 ' A' ' 77' ' ' LEU . 2.9 p 165.12 176.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.015 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.825 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -172.39 127.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 111.044 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.644 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.6 p-10 -104.28 145.84 29.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.727 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -143.05 115.33 8.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.777 HD13 ' C ' ' A' ' 61' ' ' LEU . 0.8 OUTLIER -109.31 147.86 31.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.774 ' N ' HD13 ' A' ' 61' ' ' LEU . 71.4 t -142.12 112.28 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.574 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -109.7 165.03 12.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.63 ' O ' HG11 ' A' ' 44' ' ' VAL . 8.5 t30 40.51 90.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.56 HD21 HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -127.93 -130.59 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -76.43 71.49 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 65.5 20.85 68.24 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -167.86 -172.75 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 0.752 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.622 ' HB3' HG23 ' A' ' 17' ' ' THR . 63.1 m -128.81 156.89 42.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.6 ' CD2' HD21 ' A' ' 38' ' ' LEU . 20.8 m-85 -132.84 150.43 52.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.2 p -135.42 143.49 45.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.772 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -152.63 119.61 5.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.36 145.27 32.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.825 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -128.24 121.11 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.514 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 20.7 m-80 -115.76 127.35 55.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.514 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 2.8 m-20 83.54 98.38 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.108 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.631 HD21 HG21 ' A' ' 74' ' ' VAL . 80.9 mt -107.49 134.09 51.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.265 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.583 HD22 ' H ' ' A' ' 110' ' ' TYR . 6.1 tp -38.23 -48.3 1.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.489 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 19.8 mmtt -128.12 156.1 76.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.494 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.2 Cg_endo -74.97 170.16 21.03 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.478 1.778 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 99' ' ' CYS . 1.1 pp -149.88 147.88 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' ARG . 0.4 OUTLIER -70.58 112.7 7.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.991 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.486 HG22 ' CA ' ' A' ' 54' ' ' THR . 29.1 t -56.89 -69.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -56.62 -16.19 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.26 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.446 ' C ' ' HB2' ' A' ' 100' ' ' ARG . . . -92.1 -18.33 43.6 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 82' ' ' SER . 18.0 m -74.99 168.92 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 0.757 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -161.25 158.42 27.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.98 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.599 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -114.58 141.17 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' LEU . 3.1 mtmt -137.17 158.38 44.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -135.41 138.69 47.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' CD ' ' HG ' ' A' ' 96' ' ' LEU . 0.0 OUTLIER -116.77 -166.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 50.4 m -74.97 107.69 7.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 110.397 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.409 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 93.6 m-20 59.53 29.1 18.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.813 HG23 ' O ' ' A' ' 36' ' ' ILE . 9.0 m -152.54 139.93 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 110.414 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.727 HG21 HD11 ' A' ' 60' ' ' LEU . 7.2 p -105.13 129.26 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.724 HD21 ' CD2' ' A' ' 35' ' ' TYR . 4.3 mt -99.48 146.21 26.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.532 HG21 ' CE1' ' A' ' 58' ' ' PHE . 17.8 mm -139.47 90.67 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.478 HD23 ' HB2' ' A' ' 33' ' ' LYS . 1.5 mt -76.5 134.27 39.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.571 ' HB3' HG21 ' A' ' 81' ' ' ILE . 92.6 m -119.46 105.35 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.292 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.63 ' HD3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -57.8 104.09 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.56 ' HA ' HG22 ' A' ' 81' ' ' ILE . 0.2 OUTLIER -58.37 132.2 52.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 109.322 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.05 -39.35 79.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.68 118.43 12.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -63.89 168.48 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 62.46 53.3 2.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 5.1 m -139.13 127.74 23.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.17 148.27 22.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.489 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 13.8 m0 -117.24 102.84 9.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.039 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.531 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 84.0 m-20 -65.05 -18.61 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.583 ' H ' HD22 ' A' ' 78' ' ' LEU . 58.0 m-85 -161.84 148.26 13.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 111.003 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.573 HD13 HG23 ' A' ' 112' ' ' THR . 0.6 OUTLIER -52.0 -47.01 65.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.292 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.573 HG23 HD13 ' A' ' 111' ' ' LEU . 32.1 p -125.85 173.72 8.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.4 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -73.45 -30.05 62.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.28 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 56.1 t -49.75 -66.3 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.51 -49.99 2.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -50.63 -73.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -38.85 -67.39 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 2.8 t -45.01 -61.35 1.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.46 ' HG3' ' CE1' ' A' ' 110' ' ' TYR . 4.2 mmpt? -41.14 -58.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -96.52 92.59 6.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -66.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.0 m -72.74 137.85 46.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 110.054 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -139.91 -145.68 4.72 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.493 1.12 . . . . 0.0 110.994 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 105.87 2.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.6 m 63.8 106.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 20.1 m -98.04 93.5 6.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -134.17 116.05 14.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 0.75 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.74 -58.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.03 -131.88 1.37 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.506 1.129 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 t -132.72 104.68 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.963 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.36 126.99 7.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.954 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.72 158.04 7.97 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 p -129.23 148.31 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 p -89.2 154.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.79 100.98 54.22 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.477 ' O ' HG23 ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.98 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.432 1.753 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.63 122.17 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' PRO . 37.0 p -123.21 116.41 23.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.0 p 44.3 -152.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -154.89 145.03 11.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -64.17 -173.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.601 HG23 ' CB ' ' A' ' 69' ' ' SER . 0.2 OUTLIER -92.23 147.55 22.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.399 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 71' ' ' SER . 46.6 t -76.88 154.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.62 115.11 29.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.829 HD12 ' HB2' ' A' ' 72' ' ' MET . 26.6 mt -72.93 90.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.421 ' O ' ' CD2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -75.44 -61.41 1.92 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.986 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.84 120.24 25.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.582 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 27.9 p90 -149.3 131.99 15.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.535 ' O ' HG23 ' A' ' 34' ' ' ILE . . . -82.47 136.19 15.14 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.513 ' CD2' ' HG ' ' A' ' 111' ' ' LEU . 30.2 p-90 -143.18 144.96 32.4 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -132.38 -170.4 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.416 ' OE1' ' HB2' ' A' ' 108' ' ' TRP . 3.7 pt20 -161.98 146.3 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.6 OUTLIER -141.07 146.97 37.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' O ' ' CG ' ' A' ' 30' ' ' LYS . 3.6 m-20 -63.37 77.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.589 ' O ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER 169.76 -51.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.622 ' CE1' ' NH1' ' A' ' 100' ' ' ARG . 28.8 m-85 -156.55 166.46 33.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.7 t -109.46 143.87 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.709 ' HD2' HD13 ' A' ' 96' ' ' LEU . 9.7 ttpt -145.92 147.55 31.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.673 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.2 mp -125.02 151.93 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.68 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -131.77 115.08 15.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.115 . . . . 0.0 111.037 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.741 ' O ' HG23 ' A' ' 94' ' ' THR . 2.8 mp -112.76 145.11 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.0 m -92.95 104.82 17.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -137.09 99.43 4.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.408 ' HA ' ' CB ' ' A' ' 93' ' ' ASP . 1.1 m -73.58 117.19 15.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' CA ' HD11 ' A' ' 65' ' ' LEU . . . 115.22 -24.06 10.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.019 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.645 HG12 ' O ' ' A' ' 38' ' ' LEU . 8.2 p -58.12 -20.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 0.754 . . . . 0.0 109.321 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -87.9 -11.64 47.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.587 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -99.14 -30.43 12.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.679 HG11 ' O ' ' A' ' 64' ' ' ASN . 28.2 m -71.83 154.31 92.83 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.438 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.1 Cg_endo -75.07 169.29 22.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.5 1.789 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.3 t -75.2 -3.62 34.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.123 . . . . 0.0 110.419 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -87.17 -26.01 23.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.438 ' ND2' ' HD2' ' A' ' 45' ' ' PRO . 61.8 m-20 -83.82 -19.35 35.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -106.98 112.28 39.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -120.79 114.7 22.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.5 OUTLIER -130.07 133.64 64.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.389 1.056 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.419 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 10.6 t-160 -122.45 138.03 54.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 49.3 m-85 -106.95 148.57 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.472 ' HA ' ' CG2' ' A' ' 83' ' ' VAL . 60.4 p -132.08 -164.16 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 2.5 pt-20 -78.62 -37.88 41.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.346 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 57' ' ' SER . 21.3 mmm-85 -144.17 65.41 1.3 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' ARG . 4.1 p 160.59 164.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.007 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.82 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -159.38 127.76 5.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.715 ' O ' HG23 ' A' ' 51' ' ' VAL . 3.5 p-10 -106.31 143.15 34.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.588 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -140.44 116.64 10.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.817 HD22 ' H ' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -108.32 151.14 26.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.817 ' H ' HD22 ' A' ' 61' ' ' LEU . 72.9 t -146.77 107.64 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.494 ' HD2' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -104.97 162.72 13.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.679 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.0 t-20 40.95 91.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.573 1.171 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.554 ' CD2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -128.52 -132.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.403 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.3 t-20 -71.89 71.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.71 62.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.534 ' HD3' ' CZ ' ' A' ' 70' ' ' TYR . 2.2 ptpt -164.84 -175.8 3.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.601 ' CB ' HG23 ' A' ' 17' ' ' THR . 2.8 m -124.25 151.8 43.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.623 ' CD2' HD21 ' A' ' 38' ' ' LEU . 52.6 m-85 -131.03 148.43 52.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 18' ' ' VAL . 56.5 p -134.91 142.49 46.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.001 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.829 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.8 OUTLIER -150.79 121.09 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 mt -137.9 144.71 30.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.251 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.82 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.61 121.48 55.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.545 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.3 m-80 -121.13 132.45 54.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.545 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.0 m-20 85.8 81.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.63 HD21 ' CG2' ' A' ' 74' ' ' VAL . 96.5 mt -95.61 131.99 41.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.591 HD22 ' H ' ' A' ' 110' ' ' TYR . 10.2 tp -37.56 -51.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.58 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 9.5 mmtt -122.34 161.66 42.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HA ' ' O ' ' A' ' 55' ' ' GLU . 18.2 Cg_endo -75.03 168.45 24.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.461 1.769 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.676 HG22 ' O ' ' A' ' 100' ' ' ARG . 1.2 pp -147.06 140.96 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.01 127.8 33.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 54' ' ' THR . 38.6 t -74.79 -68.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.08 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -48.45 -23.09 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -92.62 -30.49 9.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.531 1.144 . . . . 0.0 111.024 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.519 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 4.4 m -59.05 161.28 5.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.43 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -160.68 157.31 26.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.41 ' CD ' ' C ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -118.02 133.6 55.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -122.65 156.76 33.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.55 1.156 . . . . 0.0 109.279 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.49 HG22 HG23 ' A' ' 95' ' ' VAL . 91.2 t -133.78 125.77 49.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -108.93 -169.68 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.4 m -72.17 115.52 11.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.408 ' CB ' ' HA ' ' A' ' 39' ' ' THR . 76.7 m-20 54.23 20.19 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.741 HG23 ' O ' ' A' ' 36' ' ' ILE . 18.0 m -145.68 146.16 31.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.39 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.588 HG21 HD11 ' A' ' 60' ' ' LEU . 6.7 p -116.95 127.63 74.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.709 HD13 ' HD2' ' A' ' 33' ' ' LYS . 5.4 mt -96.43 145.95 25.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.57 HD11 ' CD1' ' A' ' 60' ' ' LEU . 24.5 mm -128.61 87.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.515 ' CD2' ' HD3' ' A' ' 33' ' ' LYS . 6.3 mt -75.44 116.65 16.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . . . . . . . . . 37.0 m -119.57 113.56 20.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.676 ' O ' HG22 ' A' ' 81' ' ' ILE . 0.1 OUTLIER -61.07 150.12 34.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.701 ' HZ1' ' HE1' ' A' ' 108' ' ' TRP . 2.1 mttm -103.01 130.71 50.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -69.9 -21.32 63.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.34 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.0 117.5 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -73.61 165.85 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 70.11 48.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.491 ' HB ' ' HZ2' ' A' ' 101' ' ' LYS . 1.2 m -139.88 145.37 37.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 110.411 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.01 135.78 53.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.361 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.701 ' HE1' ' HZ1' ' A' ' 101' ' ' LYS . 19.8 m0 -97.88 103.76 15.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 108.047 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' C ' ' CG ' ' A' ' 110' ' ' TYR . 1.9 m-20 -62.97 -21.26 65.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.591 ' H ' HD22 ' A' ' 78' ' ' LEU . 72.8 m-85 -157.12 128.74 7.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.513 ' HG ' ' CD2' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -38.63 -42.4 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.538 HG22 HD23 ' A' ' 77' ' ' LEU . 11.5 p -132.62 161.6 33.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.427 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.5 ' HG2' HD12 ' A' ' 78' ' ' LEU . 22.7 mt-30 -65.53 -38.16 88.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.633 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.6 p -41.33 -60.58 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.633 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.4 OUTLIER -47.04 -48.26 22.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 110' ' ' TYR . 0.0 OUTLIER -55.27 -72.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 116' ' ' LYS . 11.5 mm-40 -37.59 -61.48 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.253 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -53.23 -61.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.317 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 115' ' ' GLU . 0.8 OUTLIER -39.79 -53.93 2.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG3' ' CE ' ' A' ' 116' ' ' LYS . 2.2 mm-40 -97.99 -151.66 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.4 ttpt 65.78 154.47 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.27 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.46 88.91 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -167.61 -131.93 1.34 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.35 2.91 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 27.1 t -101.89 85.62 2.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.983 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.85 128.47 48.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.939 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.21 -58.32 2.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 0.796 . . . . 0.0 109.967 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 p -139.46 126.07 20.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.03 152.36 5.7 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.583 1.177 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 t -179.2 154.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 0.78 . . . . 0.0 109.942 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 m -128.11 -60.68 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.81 137.63 2.23 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 p -130.69 148.68 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.4 p -102.68 124.02 56.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -131.16 154.99 82.14 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.568 1.168 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.657 ' O ' HG23 ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.02 179.36 6.17 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.523 1.802 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 pt -64.94 103.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.272 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 11' ' ' PRO . 72.8 p -123.58 112.7 17.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.374 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 32.3 p 45.06 -152.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.88 -65.97 0.5 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.478 1.111 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.577 ' CD1' ' C ' ' A' ' 16' ' ' TYR . 1.1 p90 -130.83 151.85 50.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 111.007 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.665 HG23 ' HB3' ' A' ' 69' ' ' SER . 0.2 OUTLIER -125.52 147.32 49.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.435 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 71' ' ' SER . 35.8 t -76.27 151.06 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -102.59 114.25 28.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.894 HD12 ' HB2' ' A' ' 72' ' ' MET . 31.6 mt -73.3 84.24 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.33 -44.42 45.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.034 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.17 119.86 35.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.083 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CG ' ' HE1' ' A' ' 72' ' ' MET . 33.7 p90 -149.78 137.55 20.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 111.01 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 35' ' ' TYR . . . -92.53 126.38 8.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.527 1.142 . . . . 0.0 110.979 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.409 ' HA ' ' HA ' ' A' ' 34' ' ' ILE . 19.8 p-90 -129.25 150.37 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.597 ' OD2' ' CE1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -162.92 130.85 3.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' CB ' ' HA ' ' A' ' 32' ' ' VAL . 4.5 pp0? -143.61 164.31 30.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.1 OUTLIER -140.78 171.42 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -61.87 83.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER 172.8 -58.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' CE1' ' HD3' ' A' ' 100' ' ' ARG . 63.9 m-85 -152.17 169.05 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.468 ' HA ' ' CB ' ' A' ' 27' ' ' GLN . 17.1 t -116.93 136.25 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.539 ' HG2' ' CZ ' ' A' ' 35' ' ' TYR . 11.4 ttpt -146.67 140.66 26.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.246 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.672 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.3 mp -119.25 148.48 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.808 ' CD2' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -130.24 106.64 8.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.753 ' O ' HG23 ' A' ' 94' ' ' THR . 2.7 mp -103.76 147.81 9.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.6 m -94.49 103.03 15.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.822 ' O ' HG12 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -133.74 102.71 5.57 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 0.0 109.345 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.79 113.68 15.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.416 ' C ' HD11 ' A' ' 65' ' ' LEU . . . 118.26 -22.34 9.66 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.822 HG12 ' O ' ' A' ' 38' ' ' LEU . 15.0 p -55.65 -29.33 24.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 43.9 p-80 -83.31 4.29 27.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.626 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -111.31 -25.66 9.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.707 HG11 ' O ' ' A' ' 64' ' ' ASN . 26.5 m -83.66 151.86 62.35 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.404 ' HD2' ' ND2' ' A' ' 48' ' ' ASN . 18.2 Cg_endo -74.98 174.5 12.66 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 10.6 t -76.71 -3.62 38.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.418 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -23.3 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' ND2' ' HB3' ' A' ' 64' ' ' ASN . 94.3 m-20 -92.99 -11.26 33.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.472 HG11 ' CE ' ' A' ' 88' ' ' LYS . 4.3 t -109.27 111.1 34.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.524 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.2 tp60 -121.87 106.85 11.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 59' ' ' ASP . 0.4 OUTLIER -124.81 133.31 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.426 ' HB3' ' OD2' ' A' ' 59' ' ' ASP . 9.1 t-160 -125.11 128.87 49.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.523 ' CG ' ' HB3' ' A' ' 86' ' ' SER . 15.7 m-85 -98.39 147.36 24.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 111.019 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' A' ' 57' ' ' SER . 11.4 p -129.52 -164.95 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' HG3' ' CG ' ' A' ' 56' ' ' ARG . 2.6 pt-20 -75.79 -41.0 54.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.476 ' HD3' ' CA ' ' A' ' 80' ' ' PRO . 0.0 OUTLIER -141.6 54.1 1.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.673 ' N ' HD12 ' A' ' 77' ' ' LEU . 0.9 OUTLIER 175.9 173.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.768 ' CE2' HG11 ' A' ' 74' ' ' VAL . 0.1 OUTLIER -171.74 127.52 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 111.014 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.738 ' O ' HG23 ' A' ' 51' ' ' VAL . 2.3 p-10 -105.32 153.52 21.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.677 HD11 HG21 ' A' ' 95' ' ' VAL . 0.0 OUTLIER -146.83 114.24 6.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.524 ' N ' ' O ' ' A' ' 50' ' ' GLN . 0.9 OUTLIER -100.27 148.48 24.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.462 ' CG1' HD22 ' A' ' 65' ' ' LEU . 65.3 t -147.28 101.99 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -105.53 163.7 12.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.707 ' O ' HG11 ' A' ' 44' ' ' VAL . 16.3 t-20 40.21 90.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.557 HD21 HD12 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -127.58 -126.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.82 73.82 5.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.22 20.03 62.49 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 70' ' ' TYR . 0.3 OUTLIER -167.19 -173.15 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 0.809 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.665 ' HB3' HG23 ' A' ' 17' ' ' THR . 70.4 m -125.67 155.73 40.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.648 ' CD2' HD21 ' A' ' 38' ' ' LEU . 13.2 m-85 -131.77 151.55 51.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 18' ' ' VAL . 18.0 p -137.82 139.82 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.019 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.894 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.3 OUTLIER -147.53 118.54 7.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.4 HD13 ' HB3' ' A' ' 59' ' ' ASP . 6.6 mt -135.75 145.71 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.768 HG11 ' CE2' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -128.07 122.29 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 76' ' ' ASN . 9.2 m-80 -119.51 129.4 54.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 75' ' ' ASN . 4.1 m-20 83.22 88.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.716 HD21 ' CG2' ' A' ' 74' ' ' VAL . 56.2 mt -98.65 132.11 44.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.766 HD11 ' HD3' ' A' ' 116' ' ' LYS . 10.3 tp -38.54 -46.89 1.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.578 ' HB2' ' CZ2' ' A' ' 108' ' ' TRP . 8.5 mmtt -128.77 160.21 64.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.476 ' CA ' ' HD3' ' A' ' 56' ' ' ARG . 18.3 Cg_endo -74.95 165.73 30.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.562 1.822 . . . . 0.0 111.013 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.693 HG22 ' O ' ' A' ' 100' ' ' ARG . 0.9 OUTLIER -140.64 143.02 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.4 99.02 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.038 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 84' ' ' GLU . 53.8 t -41.85 -54.23 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 83' ' ' VAL . 36.9 mt-10 -39.07 -52.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.293 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.43 ' HA3' ' CG ' ' A' ' 100' ' ' ARG . . . -75.28 -33.08 54.53 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.523 ' HB3' ' CG ' ' A' ' 53' ' ' PHE . 19.1 m -48.53 111.92 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 0.746 . . . . 0.0 110.008 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.447 ' C ' ' CZ ' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -128.81 170.78 12.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.58 ' HG3' HG11 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -130.44 141.35 50.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 96' ' ' LEU . 7.4 mtmt -133.85 165.24 25.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.1 t -135.24 123.8 40.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' THR . 0.0 OUTLIER -113.96 168.04 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.4 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 91.7 m -45.36 116.15 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 92' ' ' THR . 4.3 p30 45.46 39.47 4.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.753 HG23 ' O ' ' A' ' 36' ' ' ILE . 54.7 m -158.85 147.86 18.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.677 HG21 HD11 ' A' ' 60' ' ' LEU . 7.5 p -118.92 120.23 63.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.808 HD21 ' CD2' ' A' ' 35' ' ' TYR . 2.5 mt -93.14 142.44 27.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.509 HG21 ' CE1' ' A' ' 58' ' ' PHE . 11.5 mm -132.18 90.94 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.02 123.62 25.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' CYS . . . . . 0.497 ' HB3' HG21 ' A' ' 81' ' ' ILE . 14.1 m -120.76 111.5 17.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 108.302 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -57.49 146.62 29.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mttt -98.36 127.52 44.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -66.86 -32.98 74.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.092 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.29 117.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -65.08 -179.94 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.28 39.98 28.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.468 ' CG2' ' HD2' ' A' ' 79' ' ' LYS . 3.4 m -133.5 100.53 4.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.84 151.52 47.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 79' ' ' LYS . 10.8 m0 -117.2 97.65 6.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 107.99 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.526 ' O ' ' CG ' ' A' ' 110' ' ' TYR . 80.0 m-20 -68.44 -11.48 59.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.562 ' CD2' ' HB2' ' A' ' 116' ' ' LYS . 77.3 m-85 -162.22 152.38 16.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.462 HD12 ' HE1' ' A' ' 23' ' ' TYR . 0.5 OUTLIER -67.51 -35.12 78.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' ASN . 9.9 p -138.39 154.59 48.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 114' ' ' VAL . 34.3 mt-30 -57.98 -42.62 85.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.666 HG13 ' H ' ' A' ' 115' ' ' GLU . 2.5 p -38.6 -61.89 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.13 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.666 ' H ' HG13 ' A' ' 114' ' ' VAL . 0.0 OUTLIER -47.6 -53.16 15.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 110.336 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.766 ' HD3' HD11 ' A' ' 78' ' ' LEU . 16.4 ttpt -51.26 -67.71 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -44.88 -35.99 3.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 56.5 m -70.44 -68.23 0.44 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 108.265 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.72 -53.38 2.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -91.7 -168.95 2.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.92 136.33 55.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.7 m -100.18 138.91 36.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 132.44 105.77 0.98 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.533 1.146 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.48 3.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.31 73.4 0.47 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 34.0 t -77.57 115.1 17.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.976 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 -179.968 . . . . . . . . 0 0 . 1 stop_ save_